data_2khm_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 2khm _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 ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 1.1 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 1.05 110.732 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.64 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 1.14 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 1.09 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 1.08 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.51 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.26 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 1.16 110.4 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.62 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.75 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.86 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.88 110.749 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.63 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.44 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.22 111.128 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 1.08 110.044 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.43 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 1.12 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 1.03 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 1.04 110.214 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.36 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.52 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 1.08 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 1.07 110.96 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.38 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.76 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.25 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.35 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 1.35 111.64 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.82 110.844 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.62 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 1.08 110.81 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 1.08 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.89 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.3 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 1.1 110.941 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.69 110.655 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.56 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.44 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 1.05 110.625 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 1.06 110.508 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.45 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.8 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 1.04 110.443 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 1.05 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.32 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.27 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.27 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 1.07 110.883 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.88 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.15 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 1.05 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 1.03 110.986 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 1.0 110.279 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.412 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.26 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.953 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 1.03 111.642 -172.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 1.13 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 1.01 110.008 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.97 109.867 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.65 111.306 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 1.05 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 1.04 111.212 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 1.03 110.149 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.26 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 1.02 110.448 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 1.03 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.32 111.265 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.92 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.79 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.86 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 1.31 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 2.33 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.79 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.4 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 2.02 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.83 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 1.08 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.57 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 2.15 110.913 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.99 110.449 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 2.18 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 1.07 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 1.05 110.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.16 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.69 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 1.07 110.498 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 1.04 111.136 -175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.51 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 1.13 111.406 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.74 112.064 -176.864 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 1.1 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 1.04 110.696 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.75 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 1.08 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 1.05 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.26 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 1.13 110.155 170.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.61 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.76 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.86 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 1.04 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 1.03 110.768 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.49 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.42 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.22 111.06 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.99 110.084 177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.42 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 1.16 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.96 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 1.03 110.228 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.47 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.52 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 1.08 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 1.07 110.875 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.81 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.25 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.35 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 1.26 111.526 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.82 110.738 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.62 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 1.04 110.835 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 1.11 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 1.17 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.76 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.3 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 1.09 110.925 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.66 110.748 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.4 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.44 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 1.05 110.601 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 1.01 110.613 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.46 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.8 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 1.03 110.435 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.46 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.78 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.27 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.27 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 1.12 110.955 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.77 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.15 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 1.08 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 1.04 110.913 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 1.02 110.36 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.405 ' HA ' ' CD2' ' B' ' 100' ' ' LEU . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.26 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.923 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 1.06 111.511 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 1.17 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 1.02 109.811 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 1.02 109.75 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.66 111.285 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 1.03 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 1.02 111.035 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 1.06 110.121 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.48 110.75 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 1.05 110.379 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.32 111.234 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.84 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.56 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.83 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 1.28 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 2.33 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.84 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.4 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 2.03 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 1.06 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.83 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 1.02 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.57 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.99 110.326 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 2.18 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 1.06 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 1.03 110.589 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.16 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.8 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 1.05 110.48 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.08 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.51 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 1.1 111.277 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.66 111.959 -176.716 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 1.08 110.245 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.768 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.33 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 1.04 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 1.04 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.58 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 3.52 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 1.05 110.259 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.57 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.74 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.94 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 1.14 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 1.07 110.671 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.64 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.72 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 2.28 111.105 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 1.09 109.94 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.36 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.76 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 1.05 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 1.04 110.182 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 1.33 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.55 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 1.06 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 1.08 110.939 -176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.55 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.9 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 1.26 111.64 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.62 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 1.1 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 1.05 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 1.11 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.75 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 1.66 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 1.06 110.891 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.66 110.645 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.54 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.76 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.7 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 1.03 110.459 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.42 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 1.41 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 1.03 110.37 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.44 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 1.07 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.42 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.24 110.938 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.21 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 1.05 110.696 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.85 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.15 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.12 110.685 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 1.06 110.915 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 1.01 110.024 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.005 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 1.07 111.714 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 1.23 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 1.02 109.888 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.091 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.62 111.34 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 1.03 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 1.04 111.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 1.04 110.207 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 1.05 110.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.346 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.9 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.78 110.814 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.8 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.55 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.79 110.473 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.74 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 2.19 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.26 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 1.04 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.63 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 1.01 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.57 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 2.13 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 1.04 110.624 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.84 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 1.02 110.67 -177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.59 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 1.08 110.5 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 1.09 111.292 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.74 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 1.08 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.5 mp . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 1.45 112.206 -175.058 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 1.12 110.309 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.709 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.51 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 1.06 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 1.02 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.6 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 3.52 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 1.06 110.159 168.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.65 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.65 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.94 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 1.13 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 1.13 110.721 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.41 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.55 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 2.28 111.097 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 1.05 109.979 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.57 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 1.07 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.154 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.69 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 1.07 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 1.07 110.931 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.42 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.92 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 1.18 111.621 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 1.1 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 1.09 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 1.07 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.68 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 1.65 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.836 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.7 110.7 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.53 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.69 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 1.1 110.668 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 1.01 110.548 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.41 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 1.41 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 1.07 110.397 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.46 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 1.06 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.24 110.829 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.21 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.19 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 1.1 110.875 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.84 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.15 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.12 110.725 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 1.04 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 1.03 110.043 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 1.02 110.976 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 1.09 111.503 -173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 1.19 110.989 -176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 1.05 109.672 173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 1.02 109.93 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.74 111.307 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 1.01 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.08 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 1.03 110.265 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.39 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 1.04 110.469 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 1.05 111.289 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.91 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.63 110.831 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.85 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 1.02 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.55 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.9 110.469 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.74 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 2.19 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.26 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 1.05 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.86 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 1.05 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.57 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 1.05 110.478 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.85 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 1.04 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 1.06 110.539 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.78 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 1.08 110.445 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 1.05 111.115 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.74 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 1.48 112.125 -175.078 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 1.08 110.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 1.05 110.807 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.33 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 1.04 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 1.04 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 1.04 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.58 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 3.52 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 1.05 110.601 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.57 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.74 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.94 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 1.07 110.75 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.64 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.72 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 2.28 111.093 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 1.09 109.919 176.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.76 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 1.04 110.17 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 1.33 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.55 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.06 111.037 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 1.08 110.997 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.55 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.9 110.956 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 1.26 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.62 110.875 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 1.1 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.05 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.776 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 1.11 110.811 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.75 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 1.66 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 1.06 110.792 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.66 110.643 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.54 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.76 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.642 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 1.03 110.508 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.42 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 1.41 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 1.03 110.398 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.44 110.836 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 1.07 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.42 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.24 110.962 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.21 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 1.05 110.762 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.85 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.15 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.12 110.653 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 1.04 110.363 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 1.06 110.884 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 1.01 110.071 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.021 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 1.07 111.732 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 1.23 110.525 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 1.02 109.922 173.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 1.02 109.985 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.62 111.408 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 1.03 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 1.04 111.277 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 1.04 110.194 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.24 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 1.05 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.356 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.9 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.78 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.8 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.99 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.55 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.79 110.394 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.74 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.26 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 1.04 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.63 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.57 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 2.13 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 1.04 110.461 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.84 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 1.01 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 1.02 110.791 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.59 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 1.08 110.39 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 1.09 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.74 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 1.08 111.409 -173.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 1.45 112.108 -175.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 1.12 110.104 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 1.05 110.731 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.51 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 1.05 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 1.02 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.6 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 3.52 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 1.06 110.41 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.65 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.65 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.94 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 1.13 110.848 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.41 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.55 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 2.28 111.022 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 1.05 109.951 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.57 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 1.07 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.26 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 1.24 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.69 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 1.07 110.998 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 1.07 110.943 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.42 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.92 110.925 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 1.18 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.62 110.674 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 1.1 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 1.02 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 1.09 110.776 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 1.07 110.757 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.68 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 1.65 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 1.04 110.783 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.7 110.708 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.53 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.69 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 1.1 110.619 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 1.01 110.571 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.41 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 1.41 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 1.07 110.398 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.46 110.654 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 1.06 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.7 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.894 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.21 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.19 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 1.1 110.865 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.84 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.15 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.12 110.666 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 1.04 110.312 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 1.04 110.716 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 1.03 110.071 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.02 110.878 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 1.09 111.519 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 1.19 110.979 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 1.05 109.821 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 1.02 109.882 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.74 111.369 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 1.01 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.01 111.121 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 1.03 110.149 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.39 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 1.04 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 1.05 111.368 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.91 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.63 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.85 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 1.02 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.55 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.9 110.407 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.74 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 2.19 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.26 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 1.05 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.86 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 1.05 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.57 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 2.13 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.361 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.85 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 1.04 110.906 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 1.06 110.692 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.78 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 1.08 110.374 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 1.05 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.74 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.258 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 1.48 112.036 -175.811 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 1.08 110.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 1.05 110.745 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.33 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 1.04 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 1.04 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.58 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 3.52 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 1.05 110.332 167.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.57 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.74 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.94 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 1.14 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 1.07 110.755 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.64 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.72 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 2.28 111.152 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 1.09 109.963 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.36 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.76 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 1.04 110.18 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 1.33 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.55 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 1.06 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 1.08 110.974 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.55 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.9 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 1.26 111.463 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.62 110.671 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 1.1 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 1.05 110.825 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 1.04 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 1.11 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.75 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 1.66 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.06 110.835 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.66 110.7 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.54 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.76 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.681 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 1.03 110.448 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.42 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 1.41 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 1.03 110.408 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.44 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 1.07 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.42 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.24 111.002 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.21 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.19 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 1.05 110.726 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.85 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.15 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.12 110.584 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 1.04 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.969 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 1.01 110.177 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.99 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 1.07 111.667 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 1.23 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 1.02 109.947 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.951 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.62 111.379 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 1.03 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 1.04 111.161 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 1.04 110.193 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.24 110.843 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 1.05 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.39 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.9 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.78 110.797 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.8 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.99 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.55 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.79 110.389 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.74 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 2.19 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.26 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 1.04 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.63 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 1.01 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.57 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 2.13 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 1.04 110.387 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.84 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 1.01 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 1.02 110.669 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.59 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 1.08 110.494 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 1.09 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.74 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 1.08 111.318 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 1.45 112.059 -176.26 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 1.12 110.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 1.05 110.597 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.51 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 1.06 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 1.05 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 1.02 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.6 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 3.52 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 1.06 110.145 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.65 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.65 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.94 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 1.13 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 1.13 110.846 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.41 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.55 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 2.28 111.002 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 1.05 109.967 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.53 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.57 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.252 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 1.24 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 1.07 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 1.07 110.89 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.42 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.92 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 1.18 111.494 -174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.62 110.598 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 1.1 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 1.02 110.787 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 1.09 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 1.07 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.68 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 1.65 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 1.04 110.769 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.7 110.715 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.53 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.69 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 1.1 110.663 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 1.01 110.555 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.41 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 1.41 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 1.07 110.355 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.46 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 1.06 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.7 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.863 -173.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.21 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.19 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 1.1 110.815 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.84 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.15 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.12 110.645 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 1.04 110.894 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 1.03 110.153 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 1.02 110.939 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 1.09 111.531 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 1.19 110.962 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 1.05 109.822 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 1.02 109.833 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.74 111.294 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 1.01 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 1.01 110.964 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 1.03 110.183 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.39 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 1.04 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 1.05 111.306 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.91 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.63 110.882 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.85 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 1.02 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.55 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.9 110.449 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.74 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 2.19 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.26 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 1.05 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.86 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 1.05 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.57 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 2.13 110.805 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 1.05 110.329 173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.85 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 1.04 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 1.06 110.618 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.78 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 1.08 110.441 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 1.05 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.74 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 1.05 111.333 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 1.48 112.044 -176.195 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 1.08 110.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.99 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.33 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 1.04 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 1.04 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.58 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 3.52 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 1.05 110.388 168.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.57 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.74 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.94 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 1.14 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 1.07 110.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.64 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 2.28 110.903 178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 1.09 109.992 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.36 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.76 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 1.04 110.202 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 1.33 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.55 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 1.06 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 1.08 110.963 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.55 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.9 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 1.26 111.698 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.62 110.618 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 1.1 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 1.05 110.771 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 1.04 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 1.11 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.75 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 1.66 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 1.06 110.958 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.66 110.73 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.54 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.76 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.734 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 1.03 110.388 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.42 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 1.41 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 1.03 110.383 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.44 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 1.07 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.42 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.24 111.063 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.21 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.19 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 1.05 110.791 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.85 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.15 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.12 110.637 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 1.04 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 1.06 110.955 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 1.01 110.139 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.952 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 1.07 111.719 -172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 1.23 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 1.02 109.945 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 1.02 109.986 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.62 111.227 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 1.03 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 1.04 111.193 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 1.04 110.11 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.24 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 1.05 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.267 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.9 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.78 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.8 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.99 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.55 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.74 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 2.19 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.26 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 1.04 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.63 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.57 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 2.13 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 1.04 110.367 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.84 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 1.01 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.764 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.59 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 1.08 110.433 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 1.09 111.097 -175.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.74 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 1.08 111.449 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 1.45 112.18 -175.714 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 1.12 110.103 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 1.05 110.843 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.51 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 1.06 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 1.05 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 1.02 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.6 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 3.52 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 1.06 110.239 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.65 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.65 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.94 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 1.13 110.748 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.41 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.55 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 2.28 110.949 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 1.05 109.984 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.53 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.57 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 1.07 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.282 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 1.24 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.69 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 1.07 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.87 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.42 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.92 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 1.18 111.604 -174.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.62 110.604 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 1.1 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 1.02 110.761 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 1.09 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 1.07 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.68 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 1.65 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 1.04 110.919 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.7 110.735 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.53 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.69 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 1.1 110.78 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 1.01 110.449 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.41 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 1.41 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 1.07 110.431 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.46 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 1.06 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.7 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.24 110.845 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.21 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.19 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 1.1 110.889 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.84 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.15 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.12 110.646 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 1.04 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 1.04 110.891 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 1.03 110.216 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' B' ' 100' ' ' LEU . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.883 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 1.09 111.505 -172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 1.19 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 1.05 109.857 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 1.02 109.925 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.74 111.157 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 1.01 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 1.01 111.021 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 1.03 110.176 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.39 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 1.04 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 1.05 111.154 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.91 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.63 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.85 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 1.02 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.55 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.9 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.74 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 2.19 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.26 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 1.05 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.86 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 1.05 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.57 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 2.13 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 1.05 110.329 173.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.85 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 1.04 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 1.06 110.588 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.78 111.047 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 1.08 110.368 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 1.05 111.058 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.74 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 1.05 111.402 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 1.48 112.051 -175.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 1.08 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 1.05 110.817 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.33 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 1.04 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 1.04 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.58 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 3.52 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 1.05 110.319 168.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.57 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.74 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.94 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 1.14 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 1.07 110.727 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.64 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 2.28 111.174 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 1.09 109.991 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.36 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.76 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 1.05 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 1.04 110.104 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 1.33 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.55 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 1.06 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 1.08 110.922 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.55 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.9 110.989 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 1.26 111.489 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.62 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 1.1 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 1.05 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 1.04 110.881 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 1.11 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 1.66 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 1.06 110.893 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.66 110.705 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.54 110.885 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.76 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.654 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 1.03 110.503 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.42 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 1.41 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.44 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.42 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.972 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.21 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.19 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 1.05 110.734 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.85 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.15 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.12 110.687 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 1.04 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 1.06 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 1.01 110.072 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.945 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 1.07 111.635 -172.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 1.23 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 1.02 109.875 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.157 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.62 111.249 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 1.03 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 1.04 111.248 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 1.04 110.203 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.24 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 1.05 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.25 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.9 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.78 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.8 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.99 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.55 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.79 110.288 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.74 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 2.19 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.26 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 1.04 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.63 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 1.01 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.57 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 2.13 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 1.04 110.474 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.84 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 1.01 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 1.02 110.704 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 1.08 110.409 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 1.09 111.096 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.74 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 1.08 111.47 -173.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 1.45 112.169 -175.225 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 1.12 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 1.05 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.51 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 1.06 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 1.05 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 1.02 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.6 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 3.52 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 1.06 110.125 168.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.65 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.94 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 1.13 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 1.13 110.758 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.41 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.55 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.075 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 1.05 110.005 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.53 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.57 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.2 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 1.24 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.69 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 1.07 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.823 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.42 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.92 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 1.18 111.423 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.62 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 1.1 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 1.02 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 1.09 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.68 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 1.65 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 1.04 110.839 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.7 110.773 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.53 110.881 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.69 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 1.1 110.705 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 1.01 110.54 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.41 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 1.41 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 1.07 110.424 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.46 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 1.06 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.7 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.24 110.879 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.21 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.19 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 1.1 110.892 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.84 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.15 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.12 110.734 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 1.04 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.786 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.073 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.928 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 1.09 111.529 -173.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 1.19 110.945 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 1.05 109.802 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 1.02 109.994 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.74 111.316 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 1.01 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 1.01 111.021 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 1.03 110.177 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 1.04 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.331 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.91 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.63 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.85 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.55 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.9 110.364 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.74 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.26 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 1.05 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.86 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 1.05 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.57 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 2.13 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 1.05 110.352 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.85 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 1.04 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 1.06 110.564 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.78 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 1.08 110.449 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 1.05 111.092 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.74 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 1.05 111.272 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 1.48 112.143 -175.122 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 1.08 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 1.05 110.825 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.33 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 1.04 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 3.52 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 1.05 110.516 171.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.57 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.74 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.94 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 1.07 110.777 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.64 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.72 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.011 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 1.09 110.067 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.36 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.76 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 1.05 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 1.04 110.167 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 1.33 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.55 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 1.06 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 1.08 111.03 -176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.55 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.9 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 1.26 111.574 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.62 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 1.1 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 1.05 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 1.04 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 1.11 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.75 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 1.66 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.885 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.66 110.741 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.54 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.76 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.74 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 1.03 110.388 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.42 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 1.41 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 1.03 110.39 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.44 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 1.07 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.42 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.24 111.026 -174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.21 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.19 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 1.05 110.807 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.85 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.15 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.12 110.772 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 1.04 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.761 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 1.01 110.003 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 1.07 111.808 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 1.23 110.957 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 1.02 109.864 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 1.02 110.028 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.62 111.28 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 1.03 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 1.04 111.036 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 1.04 110.256 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.24 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 1.05 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.332 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.9 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.78 110.82 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.8 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.99 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.79 110.549 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.74 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 2.19 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.26 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 1.04 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.63 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 1.01 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.57 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 2.13 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 1.04 110.421 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.84 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 1.01 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.789 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.59 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 1.08 110.482 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 1.09 111.05 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.74 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 1.08 111.443 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 1.45 112.192 -175.162 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 1.12 110.155 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.05 110.756 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.51 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 1.06 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 1.05 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 1.02 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.6 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 3.52 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 1.06 110.349 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.65 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.65 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.94 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 1.13 110.756 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.41 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.55 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 2.28 110.877 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 1.05 110.053 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.53 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.57 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 1.07 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.148 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 1.24 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.69 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 1.07 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 1.07 110.937 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.42 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.92 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 1.18 111.564 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.62 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 1.1 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 1.09 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 1.07 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.68 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 1.65 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 1.04 110.782 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.7 110.822 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.53 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.69 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 1.1 110.743 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 1.01 110.471 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.41 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.41 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 1.07 110.401 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.46 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 1.06 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.7 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.901 -174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.21 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.19 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 1.1 110.959 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.84 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.15 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.12 110.773 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 1.04 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.696 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 1.03 110.005 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 1.02 110.873 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 1.09 111.656 -172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 1.19 110.923 -175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 1.05 109.664 173.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 1.02 109.927 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.74 111.214 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 1.01 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.939 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 1.03 110.168 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.39 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 1.04 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.27 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.91 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.63 110.922 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.85 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 1.02 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.55 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.9 110.501 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.74 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 2.19 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.26 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 1.05 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.86 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 1.05 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.57 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 2.13 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 1.05 110.334 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.85 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 1.04 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 1.06 110.683 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.78 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 1.08 110.418 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 1.05 111.039 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.74 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 1.05 111.352 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 1.48 112.134 -175.055 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 1.08 110.158 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 1.05 110.71 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.33 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 1.04 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 1.04 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 1.04 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.58 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 3.52 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 1.05 110.286 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.57 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.74 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.94 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 1.14 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.754 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.64 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.72 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 2.28 111.123 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 1.09 110.064 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.36 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.76 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 1.04 110.175 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 1.33 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.55 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 1.06 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 1.08 110.976 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.55 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.9 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 1.26 111.537 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.62 110.612 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 1.1 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 1.05 110.693 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 1.04 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 1.11 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.75 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 1.66 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 1.06 110.858 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.66 110.69 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.54 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.76 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.524 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 1.03 110.471 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.42 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 1.41 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 1.03 110.413 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.44 110.786 175.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 1.07 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.42 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.24 110.982 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.21 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.19 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 1.05 110.722 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.85 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.15 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.12 110.639 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 1.04 110.23 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 1.06 110.937 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 1.01 110.178 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.002 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 1.07 111.651 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 1.23 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 1.02 109.936 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 1.02 110.057 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.326 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 1.03 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 1.04 111.169 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 1.04 110.119 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 1.05 110.494 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.36 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.9 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.78 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.8 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.99 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.55 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.79 110.501 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.74 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 2.19 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.26 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 1.04 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.63 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 1.01 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.57 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 2.13 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 1.04 110.47 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.84 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 1.01 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 1.02 110.631 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.59 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 1.08 110.511 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 1.09 111.042 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.74 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 1.08 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 1.45 112.065 -176.477 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 1.12 110.169 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 1.05 110.68 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.51 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 1.06 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 1.05 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.6 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 3.52 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 1.06 110.169 167.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.65 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.65 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.94 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 1.13 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 1.13 110.69 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.41 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.55 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 2.28 111.032 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 1.05 110.111 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.53 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.57 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 1.07 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.221 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 1.24 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.69 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 1.07 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 1.07 110.848 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.42 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.92 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 1.18 111.473 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.62 110.553 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 1.1 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.782 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 1.09 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.68 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 1.65 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 1.04 110.874 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.7 110.733 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.53 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.69 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 1.1 110.494 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 1.01 110.556 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.41 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 1.41 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 1.07 110.443 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.46 110.595 175.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 1.06 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.7 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.24 110.859 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.21 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.19 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 1.1 110.87 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.84 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.15 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.12 110.6 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 1.04 110.227 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 1.04 110.859 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 1.03 110.205 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.02 110.947 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 1.09 111.491 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 1.19 110.932 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 1.05 109.812 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 1.02 109.859 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.74 111.191 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 1.01 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 1.03 110.168 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.39 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.406 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 1.05 111.328 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.91 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.63 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.85 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 1.02 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.55 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.9 110.505 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.74 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 2.19 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.26 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 1.05 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.86 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.57 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 2.13 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 1.05 110.375 174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.85 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 1.04 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 1.06 110.598 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.78 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 1.08 110.511 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 1.05 111.06 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.74 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 1.05 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 1.48 112.054 -176.481 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 1.08 110.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 1.05 110.702 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.33 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 1.04 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 1.04 110.683 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.58 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 3.52 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 1.05 110.406 170.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.57 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.74 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.94 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 1.07 110.671 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.64 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 2.28 111.035 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 1.09 109.939 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.36 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.76 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 1.05 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 1.04 110.191 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 1.33 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.55 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 1.06 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 1.08 110.972 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.55 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.9 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 1.26 111.543 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.62 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 1.1 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 1.05 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 1.04 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 1.11 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 1.66 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 1.06 110.864 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.66 110.727 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.54 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.76 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.652 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 1.03 110.527 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.42 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 1.03 110.407 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.44 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 1.07 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.42 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.24 111.053 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.21 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.19 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 1.05 110.828 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.85 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.15 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.12 110.709 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 1.04 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.886 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 1.01 110.213 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.018 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 1.07 111.668 -172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 1.23 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 1.02 109.892 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 1.02 110.106 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.62 111.245 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 1.03 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 1.04 111.096 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 1.04 110.211 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.24 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 1.05 110.414 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.9 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.78 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.8 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.99 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.55 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.79 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.74 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 2.19 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.26 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 1.04 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.63 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 1.01 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.57 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 2.13 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 1.04 110.463 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.84 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 1.01 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 1.02 110.634 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.59 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 1.08 110.587 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 1.09 111.041 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.74 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 1.08 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 1.45 111.97 -178.486 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 1.12 110.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.707 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.51 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 1.06 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 1.05 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 1.02 110.72 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.6 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 3.52 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 1.06 110.3 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.65 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.65 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.94 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 1.13 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 1.13 110.745 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.41 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.55 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 2.28 111.012 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 1.05 109.947 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.53 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.57 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 1.07 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.334 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 1.24 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.69 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 1.07 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 1.07 110.914 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.42 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.92 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 1.18 111.448 -174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.62 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 1.1 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 1.02 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 1.07 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.68 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.65 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 1.04 110.812 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.7 110.696 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.53 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.69 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 1.1 110.611 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 1.01 110.589 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.41 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 1.41 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 1.07 110.412 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.46 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 1.06 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.7 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.913 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.21 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.19 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 1.1 110.905 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.84 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.15 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.12 110.64 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 1.04 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 1.04 110.727 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 1.03 110.155 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 1.02 110.929 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 1.09 111.491 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 1.19 110.876 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 1.05 109.782 173.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.97 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.74 111.258 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 1.01 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 1.01 110.976 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 1.03 110.106 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.39 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 1.04 110.38 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.91 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.63 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.85 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 1.02 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.55 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.9 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.74 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 2.19 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.26 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 1.05 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.86 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 1.05 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.57 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 2.13 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 1.05 110.382 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.85 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 1.04 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.597 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.78 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 1.08 110.453 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 1.05 111.013 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.74 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 1.05 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 1.48 111.942 -178.419 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 1.05 110.708 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.33 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 1.04 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 1.04 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.58 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 3.52 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 1.05 110.497 170.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.57 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.74 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.94 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 1.14 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 1.07 110.761 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.64 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.72 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 2.28 111.07 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 1.09 110.043 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.36 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.76 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 1.05 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 1.04 110.092 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 1.33 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.55 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 1.06 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 1.08 110.878 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.55 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.9 110.994 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 1.26 111.586 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.62 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 1.1 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 1.05 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 1.04 110.801 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 1.11 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.75 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 1.66 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 1.06 111.008 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.66 110.642 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.54 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.76 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.614 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 1.03 110.547 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.42 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 1.41 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 1.03 110.343 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.44 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 1.07 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.42 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.24 111.025 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.21 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 1.05 110.696 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.85 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.15 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.12 110.645 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 1.04 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.842 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 1.01 109.981 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 1.07 111.826 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 1.23 110.857 -175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 1.02 109.854 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 1.02 109.873 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.62 111.354 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 1.03 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 1.04 111.173 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 1.04 110.201 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.24 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 1.05 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.9 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.78 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.8 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.99 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.55 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.79 110.457 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.74 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 2.19 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.26 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 1.04 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.63 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 1.01 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 2.13 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 1.04 110.457 173.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.84 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 1.01 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 1.02 110.756 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.59 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 1.08 110.511 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 1.09 111.17 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.74 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 1.08 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 1.45 112.035 -175.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 1.12 110.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 1.05 110.73 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.51 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 1.06 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 1.02 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.6 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 3.52 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 1.06 110.272 170.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.65 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.65 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.94 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 1.13 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 1.13 110.75 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.41 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.55 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 2.28 110.987 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 1.05 110.15 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.53 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.57 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 1.07 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.196 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 1.24 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.69 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 1.07 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 1.07 110.873 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.42 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.92 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 1.18 111.482 -173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.62 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 1.1 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 1.02 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 1.09 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.68 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 1.65 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 1.04 110.906 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.7 110.644 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.53 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.69 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 1.1 110.587 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 1.01 110.601 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.41 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 1.41 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 1.07 110.302 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.46 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 1.06 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.7 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.24 110.904 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.21 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.19 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 1.1 110.857 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.84 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.15 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.12 110.654 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 1.04 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 1.04 110.767 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 1.03 110.043 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 1.02 110.718 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 1.09 111.624 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 1.19 111.03 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 1.05 109.694 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 1.02 109.823 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.74 111.314 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 1.01 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 1.01 111.032 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 1.03 110.203 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.39 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 1.04 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 1.05 111.298 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.91 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.63 110.868 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.85 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 1.02 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.55 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.9 110.549 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.74 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 2.19 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.26 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 1.05 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.86 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.57 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 2.13 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 1.05 110.308 173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.85 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 1.04 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 1.06 110.583 -177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.78 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 1.08 110.491 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 1.05 111.207 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.74 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.05 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 1.48 111.996 -175.839 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 1.08 110.229 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 1.05 110.754 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.33 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 1.04 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 1.04 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 1.04 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.58 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 3.52 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 1.05 110.398 168.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.57 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.74 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.94 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 1.07 110.71 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.64 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 2.28 111.043 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 1.09 109.925 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.36 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.76 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 1.04 110.182 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 1.33 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.55 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 1.06 110.874 -178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 1.08 111.112 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.55 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.9 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 1.26 111.477 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.62 110.52 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 1.1 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 1.05 110.697 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 1.04 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 1.11 110.874 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.75 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 1.66 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 1.06 110.869 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.66 110.648 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.54 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.592 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 1.03 110.549 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.42 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 1.41 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 1.03 110.319 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.44 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.24 110.998 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.21 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.19 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 1.05 110.698 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.85 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.15 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.12 110.666 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 1.04 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 1.06 110.812 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 1.01 109.942 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.752 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 1.07 111.893 -173.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 1.23 110.812 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 1.02 109.858 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 1.02 110.029 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.62 111.309 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.03 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 1.04 111.084 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 1.04 110.222 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.24 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 1.05 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.318 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.9 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.78 111.317 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.8 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.99 110.414 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.55 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.79 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 2.19 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.26 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 1.04 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.63 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 1.01 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.57 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 2.13 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 1.04 110.446 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.84 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 1.01 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 1.02 110.646 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.59 111.203 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 1.08 110.48 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 1.09 111.1 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.74 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 1.08 111.419 -173.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 1.45 112.191 -174.637 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 t . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 1.12 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 1.05 110.721 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.51 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 1.06 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 1.05 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 1.02 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.6 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 3.52 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 1.06 110.119 168.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.65 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.94 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 1.13 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.734 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.41 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 2.28 111.032 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 1.05 110.142 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.53 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.57 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 1.07 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.198 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 1.24 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.69 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 1.07 110.912 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 1.07 111.008 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.42 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 1.18 111.379 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.62 110.533 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 1.1 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 1.02 110.715 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 1.09 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 1.07 110.804 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.68 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 1.65 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 1.04 110.847 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.7 110.762 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.53 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.69 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 1.1 110.654 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 1.01 110.603 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.41 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 1.41 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 1.07 110.309 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.46 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 1.06 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.7 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.817 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.21 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.19 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 1.1 110.834 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.84 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.15 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.12 110.619 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 1.04 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 1.04 110.679 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 1.03 109.921 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 1.02 110.74 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 1.09 111.692 -173.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 1.19 110.928 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 1.05 109.702 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 1.02 109.919 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.74 111.285 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 1.01 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 1.01 111.026 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 1.03 110.186 176.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.39 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 1.05 111.379 -177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.91 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.63 111.242 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.85 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 1.02 110.435 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.55 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.9 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.74 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 2.19 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.26 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 1.05 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.86 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.57 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 2.13 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 1.05 110.349 173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.85 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 1.04 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 1.06 110.567 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.78 111.024 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 1.08 110.425 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 1.05 111.15 -175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.74 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.36 -173.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 1.48 112.127 -174.595 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 1.08 110.156 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.777 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.33 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 1.04 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 1.04 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.58 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 3.52 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 1.05 110.434 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.57 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.74 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.94 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 1.14 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 1.07 110.752 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.64 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.72 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.084 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 1.09 109.926 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.36 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.76 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 1.05 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 1.04 110.201 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 1.33 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.55 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 1.06 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 1.08 110.99 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.55 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.9 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 1.26 111.579 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.62 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 1.1 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 1.05 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 1.04 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 1.11 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 1.66 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 1.06 110.837 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.66 110.661 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.54 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.76 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 1.03 110.443 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.42 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 1.41 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 1.03 110.371 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.44 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 1.07 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.42 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.24 111.057 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.21 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.19 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 1.05 110.758 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.15 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.12 110.708 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 1.04 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 1.06 110.874 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 1.01 110.239 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.065 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 1.07 111.639 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 1.23 110.537 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 1.02 109.861 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 1.02 110.101 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.62 111.3 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 1.03 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 1.04 111.158 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 1.04 110.244 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.24 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 1.05 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.312 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.9 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.78 110.868 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.8 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.99 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.55 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.79 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.74 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 2.19 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.26 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 1.04 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.63 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 1.01 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.57 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 2.13 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 1.04 110.615 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.84 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 1.01 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 1.02 110.685 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.59 111.159 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 1.08 110.513 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 1.09 111.113 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.74 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 1.08 111.456 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 1.45 112.064 -175.649 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 1.12 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 1.05 110.701 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.51 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 1.06 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 1.02 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.6 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 3.52 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 1.06 110.279 172.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.65 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.65 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.94 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 1.13 110.817 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.41 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 2.28 111.003 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 1.05 110.018 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.53 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.57 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 1.07 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 1.24 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.69 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 1.07 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.913 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.42 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.92 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 1.18 111.554 -174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.62 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 1.1 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 1.02 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 1.09 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 1.07 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.68 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 1.65 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 1.04 110.897 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.7 110.653 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.53 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.69 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 1.1 110.544 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 1.01 110.502 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.41 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 1.41 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 1.07 110.422 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.46 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.7 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.24 110.929 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.21 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.19 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 1.1 110.897 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.84 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.15 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.12 110.668 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 1.04 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 1.04 110.802 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 1.03 110.102 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.96 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 1.09 111.429 -172.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 1.19 110.855 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 1.05 109.77 173.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 1.02 109.944 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.74 111.268 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 1.01 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 1.01 111.0 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 1.03 110.325 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.39 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 1.05 111.328 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.91 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.63 110.94 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.85 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 1.02 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.55 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.9 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.74 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 2.19 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.26 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 1.05 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.86 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.57 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 2.13 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 1.05 110.42 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.85 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 1.04 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 1.06 110.672 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.78 110.9 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 1.08 110.483 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 1.05 111.123 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.74 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 1.05 111.361 -173.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.2 mp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 1.48 112.022 -175.618 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 1.08 110.235 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 1.05 110.756 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.33 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 1.04 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 1.04 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 1.04 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.58 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 3.52 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 1.05 110.283 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.57 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.74 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.94 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 1.07 110.68 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.64 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.72 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.116 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 1.09 110.103 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.76 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 1.05 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 1.04 110.265 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 1.33 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.55 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 1.06 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.946 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.55 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.9 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 1.26 111.686 -173.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.62 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 1.1 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 1.05 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 1.04 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 1.11 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.75 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 1.66 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 1.06 110.871 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.66 110.709 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.54 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.76 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.53 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 1.03 110.519 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 1.41 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 1.03 110.324 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.44 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 1.07 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.42 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.24 110.957 -175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.21 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.19 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 1.05 110.658 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.85 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.15 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.12 110.698 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 1.04 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 1.06 110.947 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 1.01 110.184 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.018 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 1.07 111.72 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 1.23 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 1.02 109.949 173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 1.02 109.96 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.62 111.327 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 1.03 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 1.04 111.291 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 1.04 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.24 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 1.05 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.9 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.78 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.8 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.99 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.55 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.79 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.74 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 2.19 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.26 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 1.04 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.63 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 1.01 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.57 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 2.13 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 1.04 110.487 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.84 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 1.01 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 1.02 110.721 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.59 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 1.08 110.451 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 1.09 111.09 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.74 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 1.08 111.445 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 1.45 112.174 -175.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 1.12 110.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 1.05 110.761 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.51 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 1.05 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 1.02 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.6 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 3.52 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 1.06 110.085 168.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.65 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.94 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 1.13 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 1.13 110.814 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.41 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.55 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.004 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 1.05 110.074 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.53 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.57 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 1.07 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.69 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 1.07 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 1.07 110.934 -175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.42 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.92 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 1.18 111.637 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.62 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 1.1 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 1.02 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 1.09 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 1.07 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.68 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 1.65 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 1.04 110.832 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.7 110.725 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.53 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.69 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.1 110.608 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 1.01 110.568 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.41 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 1.41 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 1.07 110.368 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.46 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 1.06 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.7 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.24 110.877 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.21 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.19 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 1.1 110.823 -177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.84 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.15 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.12 110.687 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 1.04 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 1.04 110.772 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 1.03 110.136 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.887 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 1.09 111.535 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 1.19 110.958 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 1.05 109.8 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 1.02 109.817 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.74 111.245 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 1.01 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 1.01 111.092 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 1.03 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.39 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 1.04 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 1.05 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.91 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.63 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.85 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 1.02 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.55 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.9 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.74 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 2.19 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.26 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 1.05 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.86 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 1.05 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.57 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 2.13 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 1.05 110.451 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.85 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 1.04 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 1.06 110.622 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.78 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 1.08 110.484 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 1.05 111.11 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.74 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.299 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 1.48 112.078 -175.611 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 1.08 110.199 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 1.05 110.71 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.33 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 1.04 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 1.04 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 3.52 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 1.05 110.347 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.57 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.74 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.94 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 1.14 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 1.07 110.721 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.64 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.72 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 2.28 111.074 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 1.09 109.88 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.36 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.76 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 1.04 110.237 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 1.33 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.55 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 1.06 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 1.08 110.969 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.55 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.9 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 1.26 111.503 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.62 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 1.1 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 1.04 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 1.11 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.75 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 1.66 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 1.06 110.928 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.66 110.682 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.54 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.76 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.698 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 1.03 110.519 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.42 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.41 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 1.03 110.42 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.44 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.42 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.037 -174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.21 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.19 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 1.05 110.75 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.85 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.15 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.12 110.687 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 1.04 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 1.06 110.876 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 1.01 110.163 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.02 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 1.07 111.701 -172.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 1.23 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 1.02 110.047 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.178 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.286 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 1.03 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 1.04 111.018 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 1.04 110.255 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.24 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 1.05 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.385 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.9 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.78 110.9 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.8 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.99 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.55 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.79 110.414 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.74 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 2.19 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.26 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 1.04 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.63 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 1.01 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.57 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 2.13 111.044 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 1.04 110.423 173.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.84 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 1.01 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.633 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.59 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 1.08 110.535 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.09 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.74 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 1.08 111.421 -174.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 1.45 112.233 -175.344 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 1.12 110.11 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.715 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.51 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 1.06 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 1.05 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 1.02 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.6 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 3.52 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 1.06 110.238 171.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.65 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.65 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.94 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 1.13 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 1.13 110.756 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.41 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.55 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 2.28 111.03 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 1.05 109.923 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.53 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.57 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 1.07 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.212 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 1.24 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.69 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 1.07 110.901 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.42 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.92 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 1.18 111.473 -173.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.62 110.651 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 1.1 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 1.02 110.853 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 1.09 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 1.07 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.68 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 1.65 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 1.04 110.956 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.7 110.747 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.53 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.69 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 1.1 110.653 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 1.01 110.612 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.41 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 1.41 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 1.07 110.385 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.46 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 1.06 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.7 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.24 110.957 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.21 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.19 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 1.1 110.809 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.84 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.15 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.12 110.732 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 1.04 110.819 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 1.03 110.149 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 1.02 110.927 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 1.09 111.507 -172.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 1.19 110.944 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 1.05 109.874 173.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 1.02 110.052 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.74 111.224 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 1.01 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.851 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 1.03 110.28 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.39 110.763 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 1.04 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 1.05 111.238 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.91 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.63 111.035 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.85 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 1.02 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.55 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.9 110.413 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.74 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 2.19 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.26 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 1.05 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.86 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 1.05 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.57 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 2.13 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 1.05 110.302 173.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.85 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 1.04 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 1.06 110.517 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.78 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 1.08 110.489 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.74 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 1.05 111.259 -174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 1.48 112.198 -175.275 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 1.08 110.172 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 1.05 110.689 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.33 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 1.04 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 1.04 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.58 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 3.52 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 1.05 110.175 166.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.57 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.74 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.94 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 1.14 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 1.07 110.769 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.64 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.72 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 2.28 111.054 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 1.09 110.206 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.36 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 1.05 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 1.04 110.141 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 1.33 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.55 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 1.06 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 1.08 110.987 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.55 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.9 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 1.26 111.567 -174.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.62 110.801 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 1.1 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 1.05 110.829 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 1.04 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 1.11 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.75 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 1.66 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 1.06 110.829 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.66 110.65 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.54 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.641 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 1.03 110.592 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.42 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 1.41 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 1.03 110.374 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.44 110.822 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 1.07 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.42 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.24 110.97 -174.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.21 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.19 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 1.05 110.734 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.15 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.12 110.736 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.303 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 1.06 110.906 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 1.01 110.171 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.954 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 1.07 111.674 -172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 1.23 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 1.02 109.994 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 1.02 110.031 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.62 111.265 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 1.03 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 1.04 111.099 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 1.04 110.265 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.24 110.873 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 1.05 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 1.0 111.28 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.9 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.78 110.818 -176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.8 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.99 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.55 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.334 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.74 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 2.19 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.26 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 1.04 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.63 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 1.01 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.57 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 2.13 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 1.04 110.54 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.84 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 1.01 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 1.02 110.624 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.59 111.128 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 1.08 110.514 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 1.09 111.099 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.74 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 1.08 111.385 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 1.45 112.053 -176.428 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 1.12 110.174 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.676 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.51 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 1.06 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 1.05 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 1.02 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.6 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 3.52 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 1.06 110.027 166.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.65 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.65 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.94 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 1.13 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 1.13 110.682 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.41 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.55 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.008 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 1.05 110.166 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.57 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 1.07 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.166 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 1.24 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.69 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 1.07 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.832 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.42 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.92 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 1.18 111.525 -174.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.62 110.671 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 1.1 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 1.02 110.808 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 1.09 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 1.07 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.68 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 1.65 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 1.04 110.803 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.7 110.715 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.53 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.69 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 1.1 110.624 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 1.01 110.609 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.41 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 1.41 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 1.07 110.348 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.46 110.658 174.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 1.06 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.7 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.24 110.923 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.21 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.19 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 1.1 110.899 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.84 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.15 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.12 110.712 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 1.04 110.136 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 1.04 110.818 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 1.03 110.121 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.937 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 1.09 111.465 -173.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 1.19 110.96 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 1.05 109.847 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 1.02 109.898 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.74 111.267 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 1.01 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.949 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 1.03 110.258 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.39 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 1.04 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 1.05 111.185 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.91 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.63 110.94 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.85 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 1.02 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.55 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.9 110.442 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.74 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 2.19 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.26 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 1.05 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.86 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 1.05 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.57 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 2.13 110.81 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 1.05 110.489 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.85 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 1.04 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 1.06 110.63 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.78 111.025 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 1.08 110.419 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 1.05 111.144 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.74 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 1.05 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 1.48 112.075 -176.436 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 1.08 110.208 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 1.05 110.805 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.33 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 1.04 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 1.04 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 1.04 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.58 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 3.52 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 1.05 110.362 171.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.57 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.74 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.94 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 1.14 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 1.07 110.769 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.64 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 2.28 111.108 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 1.09 109.959 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.36 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.76 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 1.05 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 1.04 110.164 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 1.33 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.55 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 1.06 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.97 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.55 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.9 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 1.26 111.663 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.62 110.879 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 1.1 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 1.05 110.758 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 1.11 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.75 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 1.66 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 1.06 110.797 -177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.66 110.617 -177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.54 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.76 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 1.03 110.499 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.42 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 1.41 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 1.03 110.461 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.44 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 1.07 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.42 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.24 111.011 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.21 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.19 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 1.05 110.803 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.85 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.15 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.12 110.658 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.04 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 1.06 110.84 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 1.01 110.128 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.008 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 1.07 111.672 -172.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 1.23 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 1.02 109.834 173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 1.02 109.876 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.353 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 1.03 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 1.04 111.256 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 1.04 110.116 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.24 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 1.05 110.464 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 1.0 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.9 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.78 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.8 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.99 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.55 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.79 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.74 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 2.19 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.26 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 1.04 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.63 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 1.01 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.57 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 2.13 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 1.04 110.575 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 1.01 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 1.02 110.71 -176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.59 111.239 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 1.08 110.438 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 1.09 111.147 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.74 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 1.08 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 1.45 112.27 -173.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 1.12 110.258 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 1.05 110.761 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.51 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 1.06 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 1.05 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 1.02 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.6 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 3.52 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 1.06 110.128 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.65 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.65 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.94 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 1.13 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 1.13 110.784 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.41 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.55 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 2.28 110.99 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 1.05 110.097 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.57 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.194 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 1.24 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.69 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 1.07 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 1.07 110.948 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.42 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.92 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 1.18 111.509 -173.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.62 110.813 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 1.1 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 1.02 110.829 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 1.09 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 1.07 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.68 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 1.65 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 1.04 110.837 -177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.7 110.755 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.53 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.69 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.655 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 1.01 110.531 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.41 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 1.41 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 1.07 110.385 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.46 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 1.06 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.7 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.24 110.871 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.21 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.19 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 1.1 110.885 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.84 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.15 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.12 110.676 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 1.04 110.79 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 1.03 110.074 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 1.02 110.948 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 1.09 111.497 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 1.19 110.945 -176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 1.05 109.781 174.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 1.02 109.77 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.74 111.35 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 1.01 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 1.01 111.124 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 1.03 110.202 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.39 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 1.04 110.327 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 1.05 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.91 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.63 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.85 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 1.02 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.55 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.9 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.74 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 2.19 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.26 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 1.05 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.86 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 1.05 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.57 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 2.13 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 1.05 110.481 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.85 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 1.04 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 1.06 110.647 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.78 111.093 -176.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 1.08 110.391 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.105 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.74 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 1.05 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 1.48 112.235 -173.92 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 1.08 110.222 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 1.05 110.783 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.33 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 1.04 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 1.04 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.58 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 3.52 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 1.05 110.29 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.57 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.74 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.94 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 1.14 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 1.07 110.754 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.64 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.72 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.108 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 1.09 110.298 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.36 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.76 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 1.05 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 1.04 110.164 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 1.33 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.55 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 1.06 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 1.08 111.015 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.55 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.9 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 1.26 111.405 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.62 110.384 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 1.1 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 1.05 110.512 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 1.04 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 1.11 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.75 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 1.66 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 1.06 110.927 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.66 110.694 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.54 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.76 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.601 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 1.03 110.587 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 1.41 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 1.03 110.389 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.44 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 1.07 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.42 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.24 111.0 -174.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.21 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.19 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 1.05 110.798 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.85 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.15 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.12 110.735 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 1.04 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 1.06 110.86 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.207 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.976 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 1.07 111.647 -172.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 1.23 110.543 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 1.02 109.906 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 1.02 110.141 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.62 111.315 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 1.03 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 1.04 111.172 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 1.04 110.212 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 1.05 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 1.0 111.312 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.9 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.78 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.8 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.99 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.55 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.79 110.364 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.74 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 2.19 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.26 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 1.04 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.63 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 1.01 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.57 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 2.13 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 1.04 110.388 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.84 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 1.01 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 1.02 110.663 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.59 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 1.08 110.537 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 1.09 111.222 -174.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.74 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 1.08 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 1.45 112.336 -174.649 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 1.12 110.212 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 1.05 110.754 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.51 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 1.05 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 1.02 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.6 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 3.52 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 1.06 110.16 170.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.65 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.65 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.94 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 1.13 110.734 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.41 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.55 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 2.28 111.044 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 1.05 110.307 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.53 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.57 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.169 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 1.24 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.69 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 1.07 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 1.07 110.964 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.42 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.92 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 1.18 111.333 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.373 176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 1.1 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 1.02 110.553 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 1.09 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 1.07 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.68 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 1.65 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.955 -176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.7 110.738 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.53 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.69 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 1.1 110.619 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 1.01 110.659 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.41 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.41 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 1.07 110.369 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.46 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 1.06 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.7 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.24 110.854 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.21 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.19 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 1.1 110.876 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.84 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.15 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.12 110.735 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 1.04 110.793 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 1.03 110.107 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 1.02 110.906 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 1.09 111.458 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 1.19 110.99 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 1.05 109.776 173.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 1.02 109.925 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.74 111.258 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 1.01 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 1.01 110.977 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 1.03 110.194 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.39 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 1.04 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 1.05 111.313 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.91 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.63 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.85 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 1.02 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.55 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.9 110.322 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.74 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 2.19 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.26 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 1.05 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.86 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.57 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 2.13 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 1.05 110.376 173.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.85 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 1.04 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 1.06 110.648 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.78 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 1.08 110.538 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 1.05 111.147 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.74 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 1.05 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.1 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 1.48 112.262 -174.62 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 1.08 110.182 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.755 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 1.04 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 1.04 110.81 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.58 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 3.52 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 1.05 110.525 171.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.57 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.74 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.94 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 1.14 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.724 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.64 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 2.28 110.986 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 1.09 110.065 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.76 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 1.05 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 1.04 110.212 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 1.33 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.55 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 1.06 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 1.08 111.004 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.55 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.9 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 1.26 111.5 -174.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.62 110.879 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 1.1 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 1.05 110.673 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 1.11 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.75 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 1.66 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 1.06 110.871 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.66 110.676 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.54 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.76 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.575 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 1.03 110.493 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 1.41 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 1.03 110.402 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.44 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 1.07 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.42 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.816 -174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.21 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.19 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 1.05 110.783 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.85 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.15 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.12 110.732 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 1.04 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.06 110.792 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 1.01 109.982 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 1.07 111.826 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 1.23 110.852 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 1.02 109.899 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 1.02 110.031 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.315 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 1.03 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 1.04 111.064 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 1.04 110.324 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.24 110.963 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 1.05 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.9 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.78 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.8 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.99 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.55 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.79 110.45 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.74 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.26 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 1.04 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.63 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.57 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 2.13 111.03 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 1.04 110.308 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 1.01 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.719 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.59 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 1.08 110.438 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 1.09 110.974 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.74 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 1.08 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 1.45 111.925 -178.598 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 1.12 110.21 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 1.05 110.644 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.51 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 1.06 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 1.02 110.607 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.6 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 3.52 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 1.06 110.335 171.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.65 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.65 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.94 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 1.13 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 1.13 110.791 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.41 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.55 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 2.28 110.979 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 1.05 110.033 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.53 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.57 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 1.07 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.159 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.69 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 1.07 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 1.07 110.876 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.42 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.92 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 1.18 111.46 -174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.709 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 1.1 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 1.02 110.775 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 1.09 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 1.07 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.68 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 1.65 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.849 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.7 110.698 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.53 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.69 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 1.1 110.606 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 1.01 110.512 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.41 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 1.41 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 1.07 110.388 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.46 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 1.06 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.7 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.24 110.746 -174.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.21 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.19 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 1.1 110.893 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.84 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.15 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.12 110.723 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 1.04 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 1.04 110.746 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 1.03 110.08 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 1.02 110.776 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 1.09 111.574 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 1.19 111.004 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 1.05 109.738 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 1.02 109.891 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.74 111.225 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 1.01 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 1.01 110.913 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 1.03 110.311 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.39 110.917 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 1.04 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 1.05 111.266 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.91 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.63 110.872 -176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.85 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 1.02 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.55 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.9 110.446 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.74 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 2.19 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.26 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 1.05 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.86 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 1.05 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.57 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 2.13 110.839 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 1.05 110.283 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.85 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 1.04 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 1.06 110.603 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.78 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 1.08 110.506 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 1.05 111.119 -176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.74 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 1.48 111.877 -178.513 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 1.08 110.167 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 1.05 110.759 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.33 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 1.04 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 1.04 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 1.04 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.58 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 3.52 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 1.05 110.541 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.57 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.74 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.94 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 1.07 110.761 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.64 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.72 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 2.28 111.124 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 1.09 110.204 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.36 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.76 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 1.05 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 1.04 110.15 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 1.33 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.55 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 1.06 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.008 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.55 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.9 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 1.26 111.613 -174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.62 110.687 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 1.1 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 1.05 110.67 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 1.04 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 1.11 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.75 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 1.66 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 1.06 110.996 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.66 110.7 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.54 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.76 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.616 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 1.03 110.517 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.42 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 1.41 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 1.03 110.358 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.44 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 1.07 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.42 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.997 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.21 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.19 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 1.05 110.779 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.85 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.15 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.12 110.712 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 1.04 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 1.06 110.896 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 1.01 109.856 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.752 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 1.07 111.832 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 1.23 110.93 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 1.02 109.938 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 1.02 110.062 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.62 111.306 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 1.03 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 1.04 111.091 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 1.04 110.233 176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.24 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 1.05 110.434 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.386 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.9 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.78 110.898 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.8 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.99 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.55 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.79 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.74 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 2.19 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.26 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 1.04 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.63 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 1.01 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.57 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 2.13 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 1.04 110.465 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.84 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 1.01 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 1.02 110.698 -177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.59 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 1.08 110.465 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 1.09 111.158 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.74 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 1.08 111.441 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 1.45 112.197 -174.711 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 1.12 110.065 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 1.05 110.68 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.51 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 1.06 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 1.05 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 1.02 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.6 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 3.52 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 1.06 110.332 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.65 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.65 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.94 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 1.13 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 1.13 110.826 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.41 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.55 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 2.28 110.96 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 1.05 110.167 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.53 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.57 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 1.07 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.298 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 1.24 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.69 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 1.07 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 1.07 110.904 -175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.42 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.92 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 1.18 111.541 -174.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.566 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 1.1 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 1.02 110.662 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 1.09 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 1.07 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.68 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 1.65 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 1.04 110.986 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.7 110.715 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.53 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.69 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 1.1 110.655 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 1.01 110.597 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.41 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 1.41 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 1.07 110.407 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.46 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 1.06 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.7 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.24 110.869 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.21 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.19 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 1.1 110.839 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.84 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.15 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.12 110.62 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 1.04 110.737 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 1.03 109.871 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 1.02 110.76 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 1.09 111.635 -172.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 1.19 110.958 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 1.05 109.778 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.953 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.74 111.203 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 1.01 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 1.01 110.942 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 1.03 110.19 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.39 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.39 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 1.05 111.274 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.91 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.63 111.002 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.85 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 1.02 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.55 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.9 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.74 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 2.19 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.26 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 1.05 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.86 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 1.05 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.57 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 2.13 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 1.05 110.327 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.85 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 1.04 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 1.06 110.646 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.78 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 1.08 110.44 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.139 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.74 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 1.05 111.381 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 1.48 112.143 -174.645 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 1.08 110.213 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.712 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.33 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 1.04 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 1.04 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 1.04 110.743 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.58 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 3.52 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 1.05 110.481 169.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.57 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.74 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.94 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 1.14 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 1.07 110.679 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.64 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.72 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 2.28 111.079 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 1.09 110.215 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.76 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.17 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 1.33 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.55 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 1.06 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 1.08 110.976 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.55 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.9 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 1.26 111.482 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.62 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 1.1 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 1.05 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 1.04 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 1.11 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.75 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 1.66 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 1.06 110.868 -176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.66 110.673 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.54 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.624 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 1.03 110.511 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.42 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 1.41 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.44 110.794 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.24 110.965 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.21 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.19 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 1.05 110.771 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.85 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.15 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.12 110.638 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 1.04 110.304 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.791 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 1.01 110.017 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 1.07 111.815 -172.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 1.23 110.921 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 1.02 109.845 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 1.02 110.001 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.62 111.338 -176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 1.03 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 1.04 111.253 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.24 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 1.05 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.9 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.78 111.124 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.8 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.99 110.348 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.55 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.79 110.461 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.74 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 2.19 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.26 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 1.04 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.63 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 1.01 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.57 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 1.04 110.399 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.84 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 1.01 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 1.02 110.667 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.59 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 1.08 110.592 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 1.09 110.994 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.74 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 1.08 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 1.45 111.911 -178.672 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 1.12 110.201 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 1.05 110.677 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.51 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 1.06 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 1.05 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 1.02 110.677 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.6 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 3.52 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 1.06 110.2 169.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.65 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.65 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.94 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 1.13 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 1.13 110.728 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.41 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 2.28 111.001 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 1.05 110.263 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.53 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.57 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 1.07 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.258 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 1.24 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.69 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 1.07 110.984 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.42 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.92 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 1.18 111.442 -175.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.62 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 1.1 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 1.02 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 1.09 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.68 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 1.65 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 1.04 110.869 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.7 110.636 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.53 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.69 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 1.1 110.613 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 1.01 110.592 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.41 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 1.41 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 1.07 110.365 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.46 110.636 174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 1.06 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.7 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.24 110.894 -174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.21 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.19 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 1.1 110.877 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.84 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.15 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.12 110.604 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 1.04 110.193 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 1.04 110.703 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 1.03 109.994 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 1.02 110.752 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 1.09 111.687 -173.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 1.19 111.05 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 1.05 109.721 174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 1.02 109.825 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.74 111.285 -176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 1.01 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 1.01 111.076 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 1.03 110.138 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.39 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 1.04 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 1.05 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.91 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.63 111.147 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.85 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 1.02 110.344 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.55 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.9 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.74 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 2.19 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.26 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 1.05 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.86 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.57 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 2.13 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 1.05 110.324 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.85 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 1.04 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 1.06 110.603 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.78 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 1.08 110.402 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 1.05 111.018 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.74 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 1.05 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 1.48 111.812 -178.535 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 1.08 110.247 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 1.05 110.839 178.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.33 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 1.04 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 1.04 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 1.04 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.58 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 3.52 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 1.05 110.458 172.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.57 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.74 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.94 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 1.14 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 1.07 110.75 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.64 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.72 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 2.28 111.032 178.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 1.09 110.01 176.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.36 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.76 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 1.05 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 1.04 110.063 177.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 1.33 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.55 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 1.06 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 1.08 110.934 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.55 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.9 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 1.26 111.429 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.62 110.443 176.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 1.1 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 1.05 110.448 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 1.04 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.68 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.75 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 1.66 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 1.06 110.974 -176.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.66 110.776 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.54 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.76 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.551 -175.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.545 -177.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.42 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.41 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 1.03 110.381 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.44 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.42 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.24 111.058 -175.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.21 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.19 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 1.05 110.72 -177.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.85 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.15 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.12 110.669 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 1.04 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 1.06 110.944 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 1.01 110.136 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.963 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 1.07 111.685 -172.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 1.23 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 1.02 110.002 173.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.114 178.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.62 111.367 -178.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 1.03 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 1.04 111.161 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 1.04 110.248 176.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.9 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.78 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.8 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.99 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.55 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.79 110.349 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.74 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 2.19 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.26 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 1.04 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.63 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 1.01 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.57 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 2.13 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 1.04 110.448 174.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.84 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 1.01 110.862 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.66 -177.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.59 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 1.08 110.526 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 1.09 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.74 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 1.08 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 1.45 112.176 -174.64 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 1.12 110.232 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 1.05 110.87 178.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.51 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 1.06 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 1.05 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 1.02 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.6 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 3.52 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 1.06 110.321 172.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.65 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.65 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.94 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 1.13 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 1.13 110.789 -178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.41 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.55 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.027 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 1.05 110.079 176.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.53 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.57 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 1.07 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.094 177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 1.24 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.69 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 1.07 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.07 110.982 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.42 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.92 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 1.18 111.323 -176.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.62 110.415 176.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 1.1 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 1.02 110.547 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 1.09 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 1.07 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.68 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 1.65 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 1.04 110.979 -175.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.7 110.79 -177.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.53 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.69 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 1.1 110.617 -175.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 1.01 110.579 -177.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.41 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 1.41 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 1.07 110.33 178.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.46 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 1.06 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.7 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.24 110.855 -174.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.21 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.19 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 1.1 110.843 -177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.84 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.15 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.12 110.668 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 1.04 110.798 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 1.03 110.197 178.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 1.02 110.987 -178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 1.09 111.525 -173.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 1.19 111.012 -176.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 1.05 109.853 173.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 1.02 109.979 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.74 111.226 -178.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 1.01 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 1.01 110.982 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 1.03 110.142 176.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 1.05 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.91 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.63 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.85 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.55 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.9 110.341 -178.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.74 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 2.19 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.26 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 1.05 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.86 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.57 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 2.13 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 1.05 110.376 174.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.85 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 1.04 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 1.06 110.608 -177.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.78 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 1.08 110.459 178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 1.05 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.74 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 1.05 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 1.48 112.153 -174.534 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.377 -0.601 . . . . 37.67 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.04 31.44 3.61 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.261 -0.427 . . . . 36.39 110.878 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -65.38 -35.43 80.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.431 -0.35 . . . . 35.47 110.879 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -111.99 162.49 15.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.294 -0.412 . . . . 36.12 110.568 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.1 m 59.63 34.77 22.33 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.24 -0.436 . . . . 35.03 110.985 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.68 127.49 1.57 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.951 -0.86 . . . . 34.05 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.71 -34.5 90.08 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.23 -0.748 . . . . 33.36 111.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -86.26 149.41 25.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.717 0.294 . . . . 34.95 110.597 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.91 160.88 38.92 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.48 . . . . 32.47 110.599 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.2 mtm -128.92 142.03 51.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.29 -0.414 . . . . 33.05 110.629 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.3 35.0 0.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.06 -0.816 . . . . 31.21 111.06 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -66.0 -35.8 81.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.633 0.254 . . . . 30.3 110.799 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.93 44.53 3.84 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.889 . . . . 28.82 110.876 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.5 p -100.3 32.55 2.97 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.741 0.305 . . . . 27.33 110.827 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.4 mtm 59.46 31.14 20.84 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.414 -0.357 . . . . 27.23 111.301 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.54 -161.33 51.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.011 -0.836 . . . . 25.3 111.011 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.87 153.42 41.56 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.646 0.26 . . . . 24.67 110.454 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 130.44 38.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.221 -0.445 . . . . 23.77 110.64 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -160.02 111.17 1.94 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 22.12 110.613 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.87 88.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.229 -0.441 . . . . 20.84 111.133 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.81 153.0 23.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.098 -0.501 . . . . 19.21 110.559 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -119.97 125.47 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.29 -0.414 . . . . 18.12 110.125 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.8 m -157.64 151.9 24.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.144 -0.48 . . . . 14.26 110.504 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.48 123.97 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 13.44 110.149 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.6 79.94 0.13 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.383 -0.687 . . . . 10.52 111.383 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.75 -71.83 0.14 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.174 -0.77 . . . . 9.48 111.174 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -100.32 29.07 4.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.58 0.229 . . . . 12.34 111.195 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.65 88.44 0.07 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.036 -0.826 . . . . 7.39 111.036 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.99 158.74 56.04 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.722 1.615 . . . . 6.29 112.078 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 61.69 84.3 0.14 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 8.62 110.975 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.6 t -67.02 169.38 8.44 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.97 -0.559 . . . . 3.21 110.488 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -154.25 79.91 1.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 2.33 110.704 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.86 -60.66 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.986 -0.552 . . . . 1.3 110.273 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -67.02 -57.94 10.24 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.087 -0.506 . . . . 1.2 111.276 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 31.5 Cg_endo -60.3 -17.64 47.97 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.407 1.405 . . . . 0.54 112.823 -166.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.45 -53.07 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 1.1 110.329 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 1.05 110.732 177.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.64 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 1.14 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 1.09 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 1.08 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.51 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.26 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 1.16 110.4 169.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.62 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.75 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.86 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.88 110.749 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.63 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.44 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.22 111.128 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 1.08 110.044 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.43 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 1.12 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 1.03 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 1.04 110.214 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.36 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.52 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 1.08 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 1.07 110.96 -175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.38 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.76 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.25 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.35 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 1.35 111.64 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.82 110.844 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.62 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 1.08 110.81 -178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 1.08 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.89 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.3 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 1.1 110.941 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.69 110.655 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.56 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.44 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 1.05 110.625 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 1.06 110.508 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.45 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.8 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 1.04 110.443 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 1.05 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.32 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.27 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.27 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 1.07 110.883 -176.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.88 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.15 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 1.05 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 1.03 110.986 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 1.0 110.279 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.26 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.953 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 1.03 111.642 -172.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 1.13 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 1.01 110.008 173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.97 109.867 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.65 111.306 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 1.05 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 1.04 111.212 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 1.03 110.149 176.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.26 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 1.02 110.448 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 1.03 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.32 111.265 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.92 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.79 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.86 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 1.31 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 2.33 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.79 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.4 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 2.02 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 1.05 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.83 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 1.08 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.57 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 2.15 110.913 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.99 110.449 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 2.18 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 1.07 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 1.05 110.699 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.16 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.69 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 1.07 110.498 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 1.04 111.136 -175.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.51 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 1.13 111.406 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 5.9 mp -94.01 -8.36 40.1 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.74 112.064 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.34 -36.36 66.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.624 0.249 . . . . 1.64 110.583 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.002 -1.444 . . . . 2.86 110.925 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.401 -0.592 . . . . 40.93 109.401 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.62 98.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.238 -0.437 . . . . 38.74 111.002 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -69.25 156.98 37.85 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.222 -0.444 . . . . 37.68 110.63 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mtp -94.14 152.54 18.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.185 -0.461 . . . . 37.12 110.518 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -132.35 162.06 32.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.21 -0.45 . . . . 35.35 110.644 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.8 153.56 52.97 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.969 -0.853 . . . . 34.28 110.969 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.81 -34.04 88.83 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.335 -0.706 . . . . 33.04 111.335 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -139.96 170.71 15.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.718 0.294 . . . . 33.8 110.762 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.26 106.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.161 -0.472 . . . . 32.19 110.981 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.06 -167.97 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.636 0.585 . . . . 30.44 112.441 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.68 38.89 11.21 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.017 -0.833 . . . . 29.26 111.017 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.82 147.56 52.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.601 0.239 . . . . 30.02 110.607 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.32 179.81 53.06 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.007 -0.837 . . . . 27.95 111.007 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -146.9 164.42 32.97 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.629 0.252 . . . . 27.63 110.586 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtt 59.05 104.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.213 -0.449 . . . . 26.47 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.77 179.47 47.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 24.17 110.974 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.17 30.21 19.93 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.695 0.283 . . . . 22.86 111.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.79 105.58 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.44 -0.345 . . . . 21.7 110.64 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.0 p -66.27 -34.55 78.25 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.253 -0.43 . . . . 21.21 110.836 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.2 27.33 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.286 -0.416 . . . . 20.02 110.505 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.34 131.14 46.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.248 -0.433 . . . . 18.71 110.555 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.51 30.08 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.222 -0.445 . . . . 16.98 110.986 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -124.73 148.09 48.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.453 -0.34 . . . . 14.73 110.619 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -115.44 134.49 58.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.204 -0.453 . . . . 13.73 110.048 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.25 -160.66 12.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.001 -0.84 . . . . 11.78 111.001 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 -87.75 0.47 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.985 -0.846 . . . . 10.48 110.985 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -93.19 133.6 36.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.676 0.274 . . . . 12.14 110.579 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.06 176.5 33.52 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.085 -0.806 . . . . 8.0 111.085 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.9 162.6 34.37 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.802 1.668 . . . . 7.45 111.991 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -134.89 162.18 33.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.184 -0.462 . . . . 8.56 110.669 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -142.19 -49.53 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.21 -0.45 . . . . 5.7 110.572 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -115.84 148.35 40.03 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.245 -0.434 . . . . 4.26 110.457 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -73.35 91.6 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.218 -0.446 . . . . 2.08 110.574 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.62 -58.09 0.5 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.149 -0.478 . . . . 1.18 111.295 178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.24 -17.74 48.08 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.398 1.398 . . . . 0.54 112.782 -166.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.38 -52.98 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 1.1 110.323 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 1.04 110.696 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.75 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 1.08 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 1.05 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.26 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 1.13 110.155 170.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.61 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.76 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.86 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 1.04 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 1.03 110.768 -178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.49 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.42 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.22 111.06 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.99 110.084 177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.42 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 1.16 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.96 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 1.03 110.228 178.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.47 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.52 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 1.08 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 1.07 110.875 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.81 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.25 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.35 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 1.26 111.526 -173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.82 110.738 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.62 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 1.04 110.835 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 1.11 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 1.17 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.76 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.3 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 1.09 110.925 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.66 110.748 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.4 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.44 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 1.05 110.601 -176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 1.01 110.613 -177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.46 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.8 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 1.03 110.435 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.46 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.78 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.27 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.27 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 1.12 110.955 -176.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.77 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.15 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 1.08 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 1.04 110.913 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 1.02 110.36 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.405 ' HA ' ' CD2' ' B' ' 100' ' ' LEU . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.26 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.923 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 1.06 111.511 -172.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 1.17 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 1.02 109.811 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 1.02 109.75 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.66 111.285 -177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 1.03 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 1.02 111.035 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 1.06 110.121 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.48 110.75 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 1.05 110.379 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.32 111.234 -178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.84 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.56 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.83 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 1.28 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 2.33 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.84 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.4 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 2.03 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 1.06 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.83 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 1.02 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.57 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 2.15 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.99 110.326 173.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 2.18 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 1.06 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 1.03 110.589 -178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.16 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.8 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 1.05 110.48 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.08 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.51 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 1.1 111.277 -173.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 5.9 mp -93.59 -9.16 39.04 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.66 111.959 -176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.81 -36.23 67.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.644 0.259 . . . . 1.62 110.661 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.94 110.924 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.353 -0.61 . . . . 36.74 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.34 79.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.143 -0.481 . . . . 37.41 110.742 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -116.82 149.87 39.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.255 -0.429 . . . . 36.33 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -87.44 136.54 32.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.162 -0.472 . . . . 36.37 110.569 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -66.08 -37.4 85.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 35.49 110.648 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.26 -177.57 35.4 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 34.94 110.879 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.9 -173.31 45.83 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.957 -0.857 . . . . 34.75 110.957 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -88.83 123.7 33.47 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.585 0.231 . . . . 34.86 110.441 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -119.44 139.93 51.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 33.75 110.592 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -138.5 144.24 39.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.13 -0.486 . . . . 32.3 110.475 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.21 -164.11 47.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.935 -0.866 . . . . 30.92 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -125.26 150.03 47.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.681 0.277 . . . . 31.23 110.468 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.23 112.35 0.52 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.895 -0.882 . . . . 29.29 110.895 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -141.09 147.42 38.5 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.633 0.254 . . . . 28.02 110.525 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.71 -35.44 81.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.217 -0.447 . . . . 28.11 110.824 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.11 167.92 24.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.864 -0.894 . . . . 26.17 110.864 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.63 83.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.585 0.231 . . . . 24.91 110.701 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.27 35.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.241 -0.436 . . . . 23.32 110.702 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.18 133.95 39.62 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.271 -0.422 . . . . 22.02 110.608 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.05 -40.29 78.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.244 -0.435 . . . . 21.55 110.618 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.18 32.81 21.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.174 -0.466 . . . . 19.56 111.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.5 t -122.23 137.53 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.298 -0.41 . . . . 18.31 110.076 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -95.67 153.96 17.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.27 -0.423 . . . . 14.96 110.467 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.18 135.91 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.131 -0.486 . . . . 15.09 110.151 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.29 -121.03 12.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.996 -0.842 . . . . 12.02 110.996 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.73 53.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.87 -0.892 . . . . 9.91 110.87 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -101.48 30.43 4.26 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.643 0.258 . . . . 14.61 110.869 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.78 71.26 1.22 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.938 -0.865 . . . . 7.59 110.938 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.3 147.7 78.68 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.728 1.618 . . . . 6.39 111.987 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -98.46 45.27 1.01 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.091 0.472 . . . . 8.83 110.543 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t 59.21 170.71 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.911 -0.586 . . . . 3.57 111.124 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -114.99 40.16 2.7 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.214 0.53 . . . . 2.68 110.474 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -78.47 -29.08 46.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.613 -0.721 . . . . 1.21 111.1 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.76 -59.3 11.86 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.486 -0.325 . . . . 1.15 111.587 -177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -61.59 -25.11 78.89 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.367 1.378 . . . . 0.5 112.609 -173.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.7 t -63.24 -47.87 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 1.08 110.245 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.768 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.33 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 1.04 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 1.04 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.58 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 3.52 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 1.05 110.259 168.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.57 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.74 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.94 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 1.14 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 1.07 110.671 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.64 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.72 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 2.28 111.105 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 1.09 109.94 176.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.36 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.76 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 1.05 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 1.04 110.182 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 1.33 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.55 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 1.06 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 1.08 110.939 -176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.55 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.9 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 1.26 111.64 -174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.62 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 1.1 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 1.05 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 1.11 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.75 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 1.66 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 1.06 110.891 -177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.66 110.645 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.54 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.76 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.7 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 1.03 110.459 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.42 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 1.41 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 1.03 110.37 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.44 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 1.07 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.42 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.24 110.938 -174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.21 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 1.05 110.696 -177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.85 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.15 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.12 110.685 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 1.06 110.915 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 1.01 110.024 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.005 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 1.07 111.714 -172.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 1.23 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 1.02 109.888 172.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.091 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.62 111.34 -178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 1.03 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 1.04 111.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 1.04 110.207 176.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 1.05 110.474 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 1.0 111.346 -177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.9 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.78 110.814 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.8 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.99 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.55 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.79 110.473 -177.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.74 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 2.19 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.26 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 1.04 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.63 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 1.01 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.57 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 2.13 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 1.04 110.624 174.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.84 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 1.02 110.67 -177.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.59 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 1.08 110.5 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 1.09 111.292 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.74 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 1.08 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.5 mp -101.14 14.29 32.43 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 1.45 112.206 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -161.4 -46.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.569 0.223 . . . . 1.37 110.751 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.011 -1.438 . . . . 2.62 110.882 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.358 -0.608 . . . . 33.32 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.8 -34.87 78.77 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.207 -0.451 . . . . 32.95 110.805 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -103.44 144.45 31.38 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.329 -0.396 . . . . 32.91 110.598 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -97.84 163.2 12.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 34.62 110.585 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -77.79 168.38 20.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.193 -0.458 . . . . 31.78 110.584 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.28 -156.23 22.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.915 -0.874 . . . . 30.32 110.915 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.77 149.53 51.39 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.032 -0.827 . . . . 29.48 111.032 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.81 -36.51 84.57 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.608 0.242 . . . . 29.64 110.948 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -167.72 -64.49 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.221 -0.445 . . . . 29.59 110.625 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 15.8 ttt -125.84 38.24 4.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.219 -0.446 . . . . 27.4 110.439 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.28 34.94 5.14 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.081 -0.807 . . . . 26.44 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.616 0.246 . . . . 28.06 110.709 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.98 -175.49 51.05 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.97 -0.852 . . . . 25.52 110.97 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 95.1 p -115.13 153.48 30.7 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 25.43 110.508 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.05 -35.96 82.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.158 -0.474 . . . . 26.24 110.926 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 -166.52 40.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 24.22 110.952 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.81 135.21 36.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.633 0.254 . . . . 23.94 110.547 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.04 157.56 42.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 22.53 110.611 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.4 p -111.43 150.79 29.34 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.292 -0.413 . . . . 21.61 110.512 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.3 160.26 43.84 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.245 -0.434 . . . . 20.3 110.651 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 67.78 -68.8 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.195 -0.457 . . . . 19.72 110.991 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.35 156.47 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.596 -0.274 . . . . 18.44 110.723 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -122.29 150.19 42.69 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.205 -0.452 . . . . 17.42 110.451 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -109.0 134.1 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.204 -0.453 . . . . 16.64 110.111 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.56 -37.09 3.74 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.979 -0.849 . . . . 14.55 110.979 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.13 173.87 13.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.904 -0.879 . . . . 13.06 110.904 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -138.91 145.65 40.13 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.65 0.262 . . . . 12.81 110.518 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.55 -165.47 47.29 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.975 -0.85 . . . . 8.77 110.975 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.66 149.68 57.39 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.954 1.769 . . . . 8.12 112.317 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.12 -35.48 80.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.181 -0.463 . . . . 9.21 110.957 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -119.91 147.6 44.52 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.238 -0.437 . . . . 5.3 110.504 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.1 p -143.03 164.44 30.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.135 -0.484 . . . . 4.36 110.439 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -67.55 143.22 56.22 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.211 -0.45 . . . . 2.02 110.724 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.74 -60.68 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.286 -0.416 . . . . 1.2 111.029 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.0 -25.3 81.3 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.554 1.503 . . . . 0.5 112.532 -173.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.17 -47.8 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 1.12 110.309 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.709 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.51 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 1.06 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 1.05 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 1.02 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.6 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 3.52 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 1.06 110.159 168.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.65 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.65 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.94 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 1.13 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 1.13 110.721 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.41 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.55 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 2.28 111.097 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 1.05 109.979 176.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.53 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.57 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 1.07 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 1.0 110.154 178.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 1.24 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.69 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 1.07 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 1.07 110.931 -175.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.42 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.92 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 1.18 111.621 -174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 1.1 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 1.02 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 1.09 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 1.07 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.68 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 1.65 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.836 -177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.7 110.7 -177.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.53 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.69 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 1.1 110.668 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 1.01 110.548 -177.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.41 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 1.41 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 1.07 110.397 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.46 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 1.06 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.7 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.24 110.829 -174.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.21 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.19 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 1.1 110.875 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.84 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.15 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.12 110.725 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 1.04 110.864 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 1.03 110.043 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 1.02 110.976 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 1.09 111.503 -173.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 1.19 110.989 -176.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 1.05 109.672 173.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 1.02 109.93 178.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.74 111.307 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 1.01 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 1.01 111.08 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 1.03 110.265 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.39 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 1.04 110.469 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 1.05 111.289 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.91 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.63 110.831 -177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.85 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 1.02 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.55 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.9 110.469 -177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.74 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 2.19 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.26 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 1.05 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.86 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 1.05 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.57 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 2.13 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 1.05 110.478 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.85 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 1.04 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 1.06 110.539 -177.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.78 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 1.08 110.445 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 1.05 111.115 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.74 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.6 mp -101.2 14.6 31.45 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 1.48 112.125 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -161.73 -46.73 0.04 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.621 0.248 . . . . 1.5 110.561 178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.881 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.382 -0.599 . . . . 36.74 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.98 30.51 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.166 -0.47 . . . . 37.41 110.609 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -135.63 154.71 51.23 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.12 -0.491 . . . . 36.33 110.513 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -92.0 -66.55 0.92 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.156 -0.474 . . . . 36.37 110.637 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -66.89 -38.76 86.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.255 -0.43 . . . . 35.49 110.632 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.6 -144.92 13.92 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.885 -0.886 . . . . 34.94 110.885 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -177.54 37.51 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.918 -0.873 . . . . 34.75 110.918 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.5 39.64 17.95 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.952 0.406 . . . . 34.86 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -65.16 -36.0 82.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.028 -0.533 . . . . 33.75 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.2 mtt -122.37 145.95 47.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.24 -0.436 . . . . 32.3 110.524 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.8 94.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.15 -0.78 . . . . 30.92 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -65.62 -37.78 87.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.705 0.288 . . . . 31.23 110.649 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.08 -177.07 51.83 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.975 -0.85 . . . . 29.29 110.975 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t 63.26 128.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.767 0.318 . . . . 28.02 110.926 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -64.56 -36.92 85.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.112 -0.495 . . . . 28.11 110.858 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.43 36.77 59.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.835 . . . . 26.17 111.014 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 154.52 43.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.59 0.233 . . . . 24.91 110.638 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.7 35.65 0.7 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 23.32 110.586 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -107.0 142.56 36.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.194 -0.457 . . . . 22.02 110.537 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.03 81.27 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.223 -0.444 . . . . 21.55 110.771 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.59 153.48 40.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.3 -0.409 . . . . 19.56 110.602 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -122.34 136.83 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.225 -0.443 . . . . 18.31 110.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.9 t -109.14 141.61 41.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.207 -0.451 . . . . 14.96 110.517 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -118.84 133.83 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.215 -0.448 . . . . 15.09 110.091 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -173.17 51.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.003 -0.839 . . . . 12.02 111.003 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.23 37.31 0.14 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.957 -0.857 . . . . 9.91 110.957 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.8 31.03 6.49 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.671 0.272 . . . . 14.61 110.901 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.88 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.871 -0.892 . . . . 7.59 110.871 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.34 -176.83 1.78 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.831 1.687 . . . . 6.39 112.157 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.89 45.2 9.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.151 0.5 . . . . 8.83 110.906 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 t 58.5 171.69 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.896 -0.593 . . . . 3.57 111.253 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.1 m -101.82 41.85 1.18 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.168 0.509 . . . . 2.68 110.358 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -66.68 -31.57 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 1.21 111.19 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -58.34 -59.29 13.9 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.514 -0.312 . . . . 1.15 111.557 -176.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -56.48 -23.52 48.07 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.534 1.489 . . . . 0.5 112.633 -176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t -65.18 -49.12 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 1.08 110.058 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 1.05 110.807 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.33 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 1.04 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 1.04 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 1.04 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.58 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 3.52 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 1.05 110.601 172.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.57 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.74 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.94 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 1.07 110.75 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.64 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.72 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 2.28 111.093 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 1.09 109.919 176.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.36 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.76 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 1.04 110.17 178.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 1.33 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.55 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 1.06 111.037 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 1.08 110.997 -175.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.55 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.9 110.956 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 1.26 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.62 110.875 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 1.1 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 1.05 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.776 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 1.11 110.811 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.75 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 1.66 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 1.06 110.792 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.66 110.643 -178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.54 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.76 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 1.0 110.642 -176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 1.03 110.508 -177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.42 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 1.41 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 1.03 110.398 177.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.44 110.836 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 1.07 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.42 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.24 110.962 -174.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.21 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 1.05 110.762 -177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.85 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.15 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.12 110.653 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 1.04 110.363 178.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 1.06 110.884 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 1.01 110.071 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.021 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 1.07 111.732 -173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 1.23 110.525 -176.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 1.02 109.922 173.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 1.02 109.985 177.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.62 111.408 -177.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 1.03 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 1.04 111.277 179.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 1.04 110.194 176.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.24 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 1.05 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.356 -176.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.9 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.78 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.8 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.99 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.55 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.79 110.394 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.74 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.26 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 1.04 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.63 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.57 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 2.13 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 1.04 110.461 174.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.84 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 1.01 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 1.02 110.791 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.59 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 1.08 110.39 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 1.09 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.74 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 1.08 111.409 -173.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.5 -8.17 27.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 1.45 112.108 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.5 51.26 0.35 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.031 0.443 . . . . 1.37 110.517 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.899 179.212 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 33.32 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.86 104.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.265 -0.425 . . . . 32.95 111.07 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -121.54 132.65 54.82 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.237 -0.438 . . . . 32.91 110.503 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.44 -38.85 85.16 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.26 -0.427 . . . . 34.62 110.708 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 78.5 p -130.66 160.15 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 31.78 110.634 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.43 -173.04 44.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.967 -0.853 . . . . 30.32 110.967 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.29 168.94 37.48 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.958 -0.857 . . . . 29.48 110.958 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.9 -35.86 81.79 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.594 0.235 . . . . 29.64 110.878 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -93.11 108.07 19.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 29.59 110.487 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.49 -35.63 79.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 27.4 110.807 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.95 -33.51 6.45 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.037 -0.825 . . . . 26.44 111.037 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -121.76 151.03 40.99 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.611 0.243 . . . . 28.06 110.448 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.03 67.53 1.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 25.52 110.987 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 59.19 174.5 0.07 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.755 0.312 . . . . 25.43 111.052 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.4 mmm -113.96 144.95 42.23 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.149 -0.478 . . . . 26.24 110.468 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.13 174.61 13.8 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 24.22 110.815 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.84 147.77 30.15 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.635 0.255 . . . . 23.94 110.649 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.27 77.8 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.205 -0.452 . . . . 22.53 110.768 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -113.22 154.63 26.42 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.328 -0.397 . . . . 21.61 110.584 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.43 75.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.249 -0.432 . . . . 20.3 110.913 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 -179.0 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.432 -0.349 . . . . 19.72 111.02 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -95.04 136.65 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.293 -0.412 . . . . 18.44 110.074 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -133.22 163.84 28.4 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.114 -0.494 . . . . 17.42 110.562 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.19 144.89 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.297 -0.41 . . . . 16.64 110.311 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.03 -35.83 3.66 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.894 -0.882 . . . . 14.55 110.894 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.72 177.95 47.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.999 -0.84 . . . . 13.06 110.999 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -140.34 147.17 39.43 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.69 0.281 . . . . 12.81 110.464 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.04 154.22 6.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 8.77 110.984 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.22 144.07 91.72 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.971 1.781 . . . . 8.12 112.175 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 59.12 -178.44 0.08 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.203 -0.453 . . . . 9.21 111.0 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -114.55 150.79 34.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.331 -0.395 . . . . 5.3 110.489 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -129.72 144.94 51.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.171 -0.468 . . . . 4.36 110.512 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -68.22 142.95 55.49 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.276 -0.42 . . . . 2.02 110.608 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.52 -60.21 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.159 -0.473 . . . . 1.2 111.142 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.02 -23.74 45.29 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 121.612 1.541 . . . . 0.5 112.608 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.0 t -65.02 -49.03 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 1.12 110.104 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 1.05 110.731 178.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.51 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 1.06 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 1.05 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 1.02 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.6 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 3.52 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 1.06 110.41 172.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.65 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.65 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.94 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 1.13 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 1.13 110.848 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.41 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.55 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 2.28 111.022 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 1.05 109.951 176.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.53 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.57 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 1.07 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.26 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 1.24 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.69 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 1.07 110.998 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 1.07 110.943 -175.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.42 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.92 110.925 -177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 1.18 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.62 110.674 -178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 1.1 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 1.02 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 1.09 110.776 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 1.07 110.757 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.68 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 1.65 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 1.04 110.783 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.7 110.708 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.53 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.69 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 1.1 110.619 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 1.01 110.571 -178.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.41 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 1.41 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 1.07 110.398 177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.46 110.654 174.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 1.06 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.7 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.894 -174.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.21 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.19 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 1.1 110.865 -177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.84 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.15 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.12 110.666 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 1.04 110.312 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 1.04 110.716 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 1.03 110.071 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 1.02 110.878 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 1.09 111.519 -173.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 1.19 110.979 -176.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 1.05 109.821 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 1.02 109.882 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.74 111.369 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 1.01 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 1.01 111.121 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 1.03 110.149 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.39 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 1.04 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 1.05 111.368 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.91 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.63 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.85 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 1.02 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.55 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.9 110.407 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.74 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 2.19 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.26 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 1.05 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.86 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 1.05 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.57 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 2.13 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 1.05 110.361 174.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.85 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 1.04 110.906 178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 1.06 110.692 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.78 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 1.08 110.374 178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 1.05 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.74 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.258 -173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.1 -8.71 27.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 1.48 112.036 -175.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.03 0.38 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.1 0.476 . . . . 1.5 110.555 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 118.018 -1.434 . . . . 2.35 110.979 179.026 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.325 -0.62 . . . . 36.74 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.21 122.1 26.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.248 -0.433 . . . . 37.41 110.56 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -67.28 -32.98 74.35 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.215 -0.448 . . . . 36.33 111.004 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -91.95 165.37 13.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.376 -0.374 . . . . 36.37 110.651 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p 50.22 31.94 5.62 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.169 -0.469 . . . . 35.49 111.575 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -36.19 4.04 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 34.94 110.9 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 -172.93 26.39 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.75 110.88 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -90.28 127.82 36.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.671 0.272 . . . . 34.86 110.607 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.99 154.12 45.01 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.15 -0.477 . . . . 33.75 110.496 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.3 mtm -104.73 141.19 36.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.229 -0.442 . . . . 32.3 110.562 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -179.61 50.17 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.997 -0.841 . . . . 30.92 110.997 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.67 165.82 35.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.575 0.226 . . . . 31.23 110.651 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.87 59.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.976 -0.85 . . . . 29.29 110.976 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 162.17 29.85 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.707 0.289 . . . . 28.02 110.488 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.9 ttp -93.23 134.74 35.12 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.185 -0.461 . . . . 28.11 110.538 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.0 -169.04 31.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.936 -0.866 . . . . 26.17 110.936 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.11 157.85 45.49 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.667 0.27 . . . . 24.91 110.484 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.18 87.61 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.184 -0.462 . . . . 23.32 110.781 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -159.5 118.33 2.86 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.602 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.08 -54.19 0.02 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 21.55 110.608 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.49 178.89 7.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.163 -0.471 . . . . 19.56 110.556 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -98.75 138.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.241 -0.436 . . . . 18.31 110.083 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 t -101.65 150.51 23.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.176 -0.466 . . . . 14.96 110.642 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.34 139.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 15.09 110.305 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 -170.78 31.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.914 -0.874 . . . . 12.02 110.914 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.08 63.82 2.45 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 9.91 110.916 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.13 30.28 3.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.714 0.293 . . . . 14.61 110.99 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 78.84 1.42 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.02 -0.832 . . . . 7.59 111.02 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.04 156.59 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.786 1.658 . . . . 6.39 112.004 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.27 48.31 8.22 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.123 0.487 . . . . 8.83 110.931 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 151.21 47.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.89 -0.595 . . . . 3.57 110.678 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 47.66 1.97 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.099 0.476 . . . . 2.68 110.395 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -80.43 -39.46 28.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.909 -0.587 . . . . 1.21 110.844 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.01 -59.07 8.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.279 -0.419 . . . . 1.15 111.548 -177.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -59.54 -22.78 68.17 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.306 1.337 . . . . 0.5 112.645 -166.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.78 -49.59 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 1.08 110.015 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 1.05 110.745 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.33 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 1.04 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 1.04 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.58 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 3.52 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 1.05 110.332 167.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.57 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.74 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.94 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 1.14 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 1.07 110.755 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.64 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.72 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 2.28 111.152 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 1.09 109.963 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.36 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.76 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 1.04 110.18 178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 1.33 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.55 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 1.06 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 1.08 110.974 -175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.55 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.9 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 1.26 111.463 -174.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.62 110.671 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 1.1 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 1.05 110.825 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 1.04 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 1.11 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.75 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 1.66 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.06 110.835 -177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.66 110.7 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.54 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.76 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.681 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 1.03 110.448 -177.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.42 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 1.41 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 1.03 110.408 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.44 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 1.07 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.42 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.24 111.002 -174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.21 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.19 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 1.05 110.726 -177.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.85 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.15 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.12 110.584 179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 1.04 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 1.06 110.969 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 1.01 110.177 178.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.99 -179.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 1.07 111.667 -172.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 1.23 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 1.02 109.947 173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.951 177.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.62 111.379 -177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 1.03 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 1.04 111.161 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 1.04 110.193 176.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.24 110.843 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 1.05 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 1.0 111.39 -177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.9 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.78 110.797 -177.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.8 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.99 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.55 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.79 110.389 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.74 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 2.19 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.26 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 1.04 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.63 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 1.01 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.57 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 2.13 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 1.04 110.387 173.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.84 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 1.01 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 1.02 110.669 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.59 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 1.08 110.494 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 1.09 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.74 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 1.08 111.318 -173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.8 -8.2 28.93 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 1.45 112.059 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.62 51.78 0.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.021 0.439 . . . . 1.37 110.551 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.824 0 CA-C-O 118.042 -1.421 . . . . 2.62 110.977 179.62 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.362 -0.607 . . . . 33.32 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.82 155.44 42.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.226 -0.443 . . . . 32.95 110.587 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -65.62 -30.09 70.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.143 -0.48 . . . . 32.91 111.194 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.32 -33.49 73.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.492 -0.322 . . . . 34.62 111.12 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -63.08 -37.24 86.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.386 -0.37 . . . . 31.78 110.757 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.23 122.11 2.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.018 -0.833 . . . . 30.32 111.018 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 106.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.082 -0.807 . . . . 29.48 111.082 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.55 -36.02 82.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.67 0.271 . . . . 29.64 110.754 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -120.55 158.32 27.58 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.255 -0.43 . . . . 29.59 110.544 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -82.3 139.65 34.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.206 -0.452 . . . . 27.4 110.587 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.37 -69.86 1.21 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 26.44 110.971 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -119.66 143.42 47.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.622 0.249 . . . . 28.06 110.522 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.9 -38.21 94.03 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.082 -0.807 . . . . 25.52 111.082 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -147.1 159.82 43.15 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.67 0.271 . . . . 25.43 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.7 mtp -134.79 165.33 25.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.12 -0.491 . . . . 26.24 110.529 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.86 68.28 1.46 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.981 -0.847 . . . . 24.22 110.981 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.6 84.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.645 0.26 . . . . 23.94 110.738 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.38 144.78 49.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.233 -0.44 . . . . 22.53 110.451 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.6 p -134.98 155.24 51.11 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.349 -0.387 . . . . 21.61 110.542 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.36 152.27 34.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.078 -0.51 . . . . 20.3 110.506 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.33 129.81 43.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.252 -0.431 . . . . 19.72 110.566 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -126.85 133.41 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.238 -0.437 . . . . 18.44 110.025 179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -66.51 -43.91 83.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.257 -0.429 . . . . 17.42 110.908 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.98 160.47 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.302 -0.408 . . . . 16.64 110.729 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.27 -175.49 14.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.896 -0.882 . . . . 14.55 110.896 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.61 4.57 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.962 -0.855 . . . . 13.06 110.962 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.15 -36.45 84.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.599 0.238 . . . . 12.81 110.841 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.96 165.67 50.63 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.24 135.84 52.59 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 121.708 1.605 . . . . 8.12 111.869 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -66.01 -38.94 89.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.146 -0.479 . . . . 9.21 110.735 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -70.86 148.92 47.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.203 -0.453 . . . . 5.3 110.635 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -147.3 135.27 21.33 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.187 -0.46 . . . . 4.36 110.519 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t -168.72 -44.69 0.02 OUTLIER 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.257 -0.429 . . . . 2.02 110.935 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.05 -59.2 13.82 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.364 -0.38 . . . . 1.2 111.611 -176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -59.23 -23.21 68.58 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.379 1.386 . . . . 0.5 112.584 -166.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -65.52 -49.47 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 1.12 110.145 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 1.05 110.597 178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.51 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 1.06 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 1.05 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 1.02 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.6 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 3.52 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 1.06 110.145 167.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.65 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.65 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.94 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 1.13 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 1.13 110.846 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.41 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.55 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 2.28 111.002 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 1.05 109.967 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.53 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.57 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.252 178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 1.24 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 1.07 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 1.07 110.89 -175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.42 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.92 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 1.18 111.494 -174.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.62 110.598 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 1.1 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 1.02 110.787 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 1.09 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 1.07 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.68 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 1.65 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 1.04 110.769 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.7 110.715 -177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.53 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.69 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 1.1 110.663 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 1.01 110.555 -177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.41 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 1.41 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 1.07 110.355 177.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.46 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 1.06 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.7 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.863 -173.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.21 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.19 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 1.1 110.815 -178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.84 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.15 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.12 110.645 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 1.04 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 1.04 110.894 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 1.03 110.153 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 1.02 110.939 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 1.09 111.531 -173.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 1.19 110.962 -175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 1.05 109.822 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 1.02 109.833 177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.74 111.294 -177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 1.01 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 1.01 110.964 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 1.03 110.183 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.39 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 1.04 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 1.05 111.306 -177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.91 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.63 110.882 -177.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.85 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 1.02 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.55 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.9 110.449 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.74 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 2.19 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.26 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 1.05 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.86 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 1.05 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.57 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 2.13 110.805 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 1.05 110.329 173.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.85 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 1.04 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 1.06 110.618 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.78 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 1.08 110.441 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 1.05 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.74 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 1.05 111.333 -173.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.38 -8.89 28.46 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 1.48 112.044 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.7 0.38 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 1.5 110.57 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.027 -1.429 . . . . 2.35 110.938 178.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.377 -0.601 . . . . 36.74 109.377 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.67 152.96 39.72 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.187 -0.46 . . . . 37.41 110.554 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -121.46 147.22 46.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.211 -0.45 . . . . 36.33 110.514 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.7 mtt -90.79 117.0 29.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.236 -0.438 . . . . 36.37 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.53 -38.3 84.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.274 -0.421 . . . . 35.49 110.519 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.86 75.17 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.884 -0.887 . . . . 34.94 110.884 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.82 -177.56 52.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.884 -0.886 . . . . 34.75 110.884 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.22 -38.45 90.45 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.692 0.282 . . . . 34.86 110.781 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -142.8 159.31 42.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.18 -0.464 . . . . 33.75 110.584 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.3 -35.95 82.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.216 -0.447 . . . . 32.3 110.706 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.85 171.53 36.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 30.92 110.79 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -155.26 156.73 36.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.658 0.266 . . . . 31.23 110.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.17 34.92 76.46 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.054 -0.818 . . . . 29.29 111.054 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.2 p -82.39 153.67 25.6 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.659 0.266 . . . . 28.02 110.604 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.5 mtt -141.49 133.92 28.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.178 -0.465 . . . . 28.11 110.428 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.21 -134.29 33.87 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.088 -0.805 . . . . 26.17 111.088 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.04 147.56 29.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.603 0.24 . . . . 24.91 110.475 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.92 123.62 26.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.197 -0.456 . . . . 23.32 110.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -145.34 160.46 41.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.177 -0.465 . . . . 22.02 110.594 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 158.65 32.68 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.133 -0.485 . . . . 21.55 110.57 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 68.1 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.12 0.486 . . . . 19.56 110.549 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -140.43 134.8 35.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.956 -0.566 . . . . 18.31 110.02 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.2 p -136.65 146.93 46.54 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.319 -0.401 . . . . 14.96 110.64 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -135.65 132.94 51.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 15.09 110.07 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.45 -157.49 44.33 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.844 -0.903 . . . . 12.02 110.844 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.73 -73.2 1.26 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.964 -0.855 . . . . 9.91 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -130.44 47.53 2.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.016 0.436 . . . . 14.61 110.446 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.1 145.4 49.66 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 111.002 -0.839 . . . . 7.59 111.002 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.52 145.09 69.43 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.613 1.542 . . . . 6.39 112.07 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.69 45.79 1.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.116 0.484 . . . . 8.83 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.1 t -121.9 141.65 51.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.887 -0.597 . . . . 3.57 110.491 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -152.25 48.81 0.77 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.231 -0.44 . . . . 2.68 110.544 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -72.48 -34.92 68.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 1.21 111.044 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -63.16 -59.4 12.38 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.42 -0.354 . . . . 1.15 111.643 -176.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 18.6 Cg_endo -58.6 -24.23 69.17 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.358 1.372 . . . . 0.5 112.69 -169.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.73 -48.3 82.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 1.08 110.011 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 1.05 110.99 179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.33 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 1.04 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 1.04 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.58 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 3.52 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 1.05 110.388 168.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.57 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.74 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.94 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 1.14 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 1.07 110.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.64 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.72 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 2.28 110.903 178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 1.09 109.992 177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.36 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.76 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 1.04 110.202 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 1.33 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.55 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 1.06 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 1.08 110.963 -176.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.55 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.9 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 1.26 111.698 -174.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.62 110.618 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 1.1 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 1.05 110.771 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 1.04 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 1.11 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.75 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 1.66 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 1.06 110.958 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.66 110.73 -176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.54 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.76 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.734 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 1.03 110.388 -178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.42 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 1.41 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 1.03 110.383 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.44 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 1.07 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.42 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.24 111.063 -175.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.21 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.19 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 1.05 110.791 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.85 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.15 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.12 110.637 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 1.04 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 1.06 110.955 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 1.01 110.139 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.952 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 1.07 111.719 -172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 1.23 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 1.02 109.945 172.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 1.02 109.986 177.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.62 111.227 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 1.03 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 1.04 111.193 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 1.04 110.11 175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.24 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 1.05 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 1.0 111.267 -178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.9 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.78 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.8 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.99 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.55 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.79 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.74 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 2.19 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.26 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 1.04 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.63 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 1.01 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.57 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 2.13 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 1.04 110.367 173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.84 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 1.01 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 1.02 110.764 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.59 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 1.08 110.433 178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 1.09 111.097 -175.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.74 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 1.08 111.449 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.74 -8.25 31.79 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 1.45 112.18 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.58 -36.05 70.76 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.088 -0.245 . . . . 1.37 110.598 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.005 -1.442 . . . . 2.62 111.0 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.386 -0.598 . . . . 33.32 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.11 82.59 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.253 -0.43 . . . . 32.95 110.676 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -144.09 145.52 32.21 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.218 -0.446 . . . . 32.91 110.511 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.11 -37.13 86.48 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.222 -0.445 . . . . 34.62 110.922 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -165.8 37.61 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.182 -0.463 . . . . 31.78 110.55 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.31 145.07 11.87 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.793 -0.923 . . . . 30.32 110.793 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.5 177.08 46.9 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.991 -0.844 . . . . 29.48 110.991 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -66.07 -36.22 82.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.612 0.244 . . . . 29.64 110.744 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -63.81 -35.87 82.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.291 -0.413 . . . . 29.59 110.831 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mtp -92.15 176.45 6.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.28 -0.418 . . . . 27.4 110.579 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.7 36.11 8.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.01 -0.836 . . . . 26.44 111.01 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -120.55 146.18 46.57 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.537 0.208 . . . . 28.06 110.56 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.23 -172.8 43.85 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 25.52 110.931 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -64.24 -35.71 81.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.588 0.233 . . . . 25.43 110.896 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 89.1 mtp -65.32 -36.25 83.47 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 26.24 110.801 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.5 -168.2 45.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.884 . . . . 24.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.35 33.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.769 0.319 . . . . 23.94 110.799 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.02 142.7 37.78 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.343 -0.39 . . . . 22.53 110.418 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -66.67 -34.8 78.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.171 -0.468 . . . . 21.61 110.88 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.36 -62.95 1.23 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.202 -0.453 . . . . 20.3 110.456 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.77 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 19.72 110.469 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.92 141.37 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.115 -0.493 . . . . 18.44 110.219 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -122.57 141.81 51.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.253 -0.431 . . . . 17.42 110.598 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.07 138.85 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.2 -0.455 . . . . 16.64 110.318 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.45 -78.35 1.27 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 14.55 110.867 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.06 -171.17 41.61 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.891 -0.884 . . . . 13.06 110.891 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -111.11 137.88 48.23 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.432 -0.21 . . . . 12.81 110.432 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.45 99.32 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.792 -0.923 . . . . 8.77 110.792 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.91 135.33 57.87 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.767 1.645 . . . . 8.12 112.467 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -114.77 142.38 46.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.125 -0.489 . . . . 9.21 110.569 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -138.55 155.4 48.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.154 -0.476 . . . . 5.3 110.457 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -66.32 -35.62 80.83 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.279 -0.419 . . . . 4.36 110.764 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -154.47 156.03 35.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.228 -0.442 . . . . 2.02 110.46 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.84 -60.55 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.292 -0.413 . . . . 1.2 111.323 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.09 -24.46 66.24 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.427 1.418 . . . . 0.5 112.766 -169.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.54 -48.08 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 1.12 110.103 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 1.05 110.843 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.51 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 1.06 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 1.05 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 1.02 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.6 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 3.52 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 1.06 110.239 168.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.65 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.65 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.94 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 1.13 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 1.13 110.748 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.41 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.55 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 2.28 110.949 178.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 1.05 109.984 177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.53 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.57 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 1.07 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 1.0 110.282 179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 1.24 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.69 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 1.07 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.87 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.42 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.92 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 1.18 111.604 -174.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.62 110.604 178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 1.1 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 1.02 110.761 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 1.09 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 1.07 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.68 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 1.65 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 1.04 110.919 -176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.7 110.735 -176.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.53 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.69 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 1.1 110.78 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 1.01 110.449 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.41 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 1.41 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 1.07 110.431 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.46 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 1.06 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.7 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.24 110.845 -174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.21 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.19 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 1.1 110.889 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.84 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.15 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.12 110.646 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 1.04 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 1.04 110.891 -179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 1.03 110.216 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' B' ' 100' ' ' LEU . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.883 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 1.09 111.505 -172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 1.19 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 1.05 109.857 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 1.02 109.925 177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.74 111.157 -179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 1.01 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 1.01 111.021 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 1.03 110.176 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.39 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 1.04 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 1.05 111.154 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.91 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.63 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.85 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 1.02 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.55 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.9 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.74 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 2.19 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.26 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 1.05 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.86 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 1.05 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.57 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 2.13 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 1.05 110.329 173.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.85 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 1.04 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 1.06 110.588 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.78 111.047 -177.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 1.08 110.368 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 1.05 111.058 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.74 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 1.05 111.402 -173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.5 mp -96.45 -8.88 31.09 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 1.48 112.051 -175.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.105 -0.238 . . . . 1.5 110.682 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.042 -1.421 . . . . 2.35 111.003 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.369 -0.604 . . . . 36.74 109.369 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.97 -68.74 0.14 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.199 -0.455 . . . . 37.41 110.936 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -142.83 161.92 36.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.542 -0.299 . . . . 36.33 110.546 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -119.81 152.17 37.69 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.241 -0.436 . . . . 36.37 110.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -135.38 158.66 43.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.147 -0.479 . . . . 35.49 110.68 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.33 42.87 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.971 -0.852 . . . . 34.94 110.971 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -175.61 37.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.928 -0.869 . . . . 34.75 110.928 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 62.19 150.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.756 0.313 . . . . 34.86 111.084 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -94.83 119.27 33.13 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.157 -0.474 . . . . 33.75 110.493 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.3 ttm -105.38 129.33 53.72 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.233 -0.44 . . . . 32.3 110.455 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -130.08 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.981 -0.847 . . . . 30.92 110.981 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -131.01 133.22 45.57 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.658 0.266 . . . . 31.23 110.411 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.17 -179.86 18.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 29.29 110.852 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -143.47 156.34 44.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.644 0.259 . . . . 28.02 110.536 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ttt -138.63 144.33 39.67 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.251 -0.431 . . . . 28.11 110.43 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.61 36.68 0.51 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 26.17 110.964 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.3 84.66 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.613 0.244 . . . . 24.91 110.654 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.34 -67.1 1.02 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.494 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -152.77 161.75 42.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.282 -0.417 . . . . 22.02 110.553 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.26 86.75 0.21 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.207 -0.452 . . . . 21.55 110.608 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.01 113.73 0.49 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.079 -0.51 . . . . 19.56 110.545 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -120.69 129.67 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 18.31 110.108 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -135.59 148.85 49.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 14.96 110.517 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -121.55 131.03 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.257 -0.429 . . . . 15.09 110.063 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.44 -167.52 53.19 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.97 -0.852 . . . . 12.02 110.97 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.29 34.25 0.71 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.044 -0.823 . . . . 9.91 111.044 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -155.53 78.29 1.0 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 14.61 110.416 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.14 113.63 5.52 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.932 -0.867 . . . . 7.59 110.932 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.77 151.32 36.02 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.57 1.513 . . . . 6.39 112.03 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 59.65 47.81 10.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.057 0.456 . . . . 8.83 110.978 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -83.4 140.61 32.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 3.57 110.535 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m 59.13 79.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.186 -0.461 . . . . 2.68 111.037 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 -49.64 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.084 -0.507 . . . . 1.21 110.596 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.35 -59.12 8.97 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.156 -0.475 . . . . 1.15 111.199 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.67 -20.74 35.98 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.521 1.48 . . . . 0.5 112.716 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.75 -49.75 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 1.08 110.104 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 1.05 110.817 179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.33 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 1.04 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 1.04 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 1.04 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.58 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 3.52 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 1.05 110.319 168.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.57 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.74 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.94 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 1.14 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 1.07 110.727 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.64 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.72 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 2.28 111.174 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 1.09 109.991 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.36 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.76 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 1.05 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 1.04 110.104 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 1.33 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.55 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 1.06 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 1.08 110.922 -175.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.55 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.9 110.989 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 1.26 111.489 -176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.62 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 1.1 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 1.05 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 1.04 110.881 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 1.11 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 1.66 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 1.06 110.893 -176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.66 110.705 -176.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.54 110.885 -178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.76 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 1.0 110.654 -176.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 1.03 110.503 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.42 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 1.41 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.44 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.42 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.972 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.21 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.19 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 1.05 110.734 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.85 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.15 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.12 110.687 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 1.04 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 1.06 110.909 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 1.01 110.072 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.401 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.945 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 1.07 111.635 -172.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 1.23 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 1.02 109.875 173.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.157 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.62 111.249 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 1.03 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 1.04 111.248 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 1.04 110.203 176.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.24 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 1.05 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.25 -176.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.9 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.78 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.8 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.99 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.55 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.79 110.288 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.74 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 2.19 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.26 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 1.04 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.63 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 1.01 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.57 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 2.13 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 1.04 110.474 174.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.84 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 1.01 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 1.02 110.704 -177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 1.08 110.409 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 1.09 111.096 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.74 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 1.08 111.47 -173.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -96.33 -8.04 33.67 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 1.45 112.169 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.03 69.81 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.073 -0.251 . . . . 1.37 110.586 177.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.993 -1.448 . . . . 2.62 110.948 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.327 -0.62 . . . . 33.32 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.53 152.03 39.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 32.95 110.57 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -123.38 148.26 46.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.209 -0.45 . . . . 32.91 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.98 -35.86 82.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 34.62 110.856 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.3 p -85.22 162.43 19.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.31 -0.405 . . . . 31.78 110.529 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.56 -123.56 0.66 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.863 -0.895 . . . . 30.32 110.863 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.92 -34.47 5.59 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.106 -0.798 . . . . 29.48 111.106 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -104.69 139.64 39.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.667 0.27 . . . . 29.64 110.567 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.05 126.2 52.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.302 -0.408 . . . . 29.59 110.584 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.36 -36.45 81.4 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.15 -0.477 . . . . 27.4 110.847 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.01 -52.96 33.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.292 -0.723 . . . . 26.44 111.292 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.08 -39.73 86.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.613 0.244 . . . . 28.06 110.751 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.85 95.97 0.02 OUTLIER Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.149 -0.78 . . . . 25.52 111.149 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.9 m -64.69 -37.92 89.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 25.43 110.793 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.9 mtm -140.61 162.59 35.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.217 -0.447 . . . . 26.24 110.521 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.45 47.66 0.15 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.954 -0.858 . . . . 24.22 110.954 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.15 34.44 0.99 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.792 0.33 . . . . 23.94 110.654 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.31 154.72 41.28 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 22.53 110.579 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -120.05 148.89 43.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.145 -0.479 . . . . 21.61 110.461 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.99 139.16 55.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.158 -0.474 . . . . 20.3 110.578 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 156.84 40.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.112 -0.495 . . . . 19.72 110.536 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.53 152.14 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.235 -0.439 . . . . 18.44 110.514 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -145.52 148.42 33.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.16 -0.473 . . . . 17.42 110.601 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.47 133.07 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 16.64 110.087 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.57 -166.4 45.4 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.912 -0.875 . . . . 14.55 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.53 -179.3 47.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.012 -0.835 . . . . 13.06 111.012 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -66.12 -39.66 90.09 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.684 0.278 . . . . 12.81 110.667 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.16 163.55 20.98 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.903 -0.879 . . . . 8.77 110.903 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.76 -36.19 33.23 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.707 1.605 . . . . 8.12 111.994 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -134.45 140.25 46.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 9.21 110.591 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 65.7 m -134.4 135.95 42.97 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.22 -0.446 . . . . 5.3 110.519 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m 61.57 -79.08 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.149 -0.478 . . . . 4.36 111.276 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -151.68 151.11 31.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.574 0.226 . . . . 2.02 110.528 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.27 -59.7 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.295 -0.411 . . . . 1.2 111.115 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -56.38 -20.89 34.57 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.657 1.571 . . . . 0.5 112.692 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.77 -49.5 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 1.12 110.155 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 1.05 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.51 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 1.06 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 1.05 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 1.02 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.6 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 3.52 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 1.06 110.125 168.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.65 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.94 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 1.13 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 1.13 110.758 -179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.41 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.55 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.075 179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 1.05 110.005 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.53 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.57 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 1.0 110.2 178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 1.24 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.69 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 1.07 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 1.07 110.823 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.42 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.92 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 1.18 111.423 -176.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.62 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 1.1 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 1.02 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 1.09 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.68 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 1.65 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 1.04 110.839 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.7 110.773 -176.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.53 110.881 -178.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.69 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 1.1 110.705 -176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 1.01 110.54 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.41 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 1.41 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 1.07 110.424 178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.46 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 1.06 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.7 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.24 110.879 -174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.21 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.19 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 1.1 110.892 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.84 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.15 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.12 110.734 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 1.04 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.786 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 1.03 110.073 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.928 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 1.09 111.529 -173.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 1.19 110.945 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 1.05 109.802 173.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 1.02 109.994 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.74 111.316 -177.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 1.01 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 1.01 111.021 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 1.03 110.177 176.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.39 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 1.04 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.331 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.91 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.63 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.85 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 1.02 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.55 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.9 110.364 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.74 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 2.19 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.26 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 1.05 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.86 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 1.05 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.57 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 2.13 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 1.05 110.352 174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.85 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 1.04 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 1.06 110.564 -177.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.78 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 1.08 110.449 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 1.05 111.092 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.74 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 1.05 111.272 -173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -95.96 -8.68 33.15 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 1.48 112.143 -175.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.38 -36.05 71.3 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.67 0.272 . . . . 1.5 110.669 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.966 -1.464 . . . . 2.35 110.977 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.409 -0.589 . . . . 36.74 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 142.91 53.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.164 -0.471 . . . . 37.41 110.633 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -138.28 143.55 40.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.214 -0.448 . . . . 36.33 110.469 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.9 mtp -112.07 142.36 44.61 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 36.37 110.579 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -138.37 157.16 46.77 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.188 -0.46 . . . . 35.49 110.601 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.34 -174.73 44.98 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.947 -0.861 . . . . 34.94 110.947 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.82 -178.26 51.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.873 -0.891 . . . . 34.75 110.873 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.4 -37.87 88.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.604 0.24 . . . . 34.86 110.758 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -142.73 152.29 42.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 33.75 110.553 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.5 mtp -129.3 161.15 30.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.213 -0.449 . . . . 32.3 110.494 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.66 -36.65 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.946 -0.862 . . . . 30.92 110.946 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -123.42 147.93 46.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.638 0.256 . . . . 31.23 110.504 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 130.3 24.47 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.936 -0.865 . . . . 29.29 110.936 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.46 -35.69 81.65 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.643 0.259 . . . . 28.02 110.839 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.3 mtm -90.58 135.4 33.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.291 -0.413 . . . . 28.11 110.573 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.73 -169.21 32.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.774 -0.931 . . . . 26.17 110.774 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.53 106.56 10.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.612 0.244 . . . . 24.91 110.471 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.51 165.73 35.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.103 -0.499 . . . . 23.32 110.527 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -69.04 158.3 35.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.215 -0.448 . . . . 22.02 110.591 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 145.59 55.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.213 -0.448 . . . . 21.55 110.697 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.63 146.37 25.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.18 -0.464 . . . . 19.56 110.597 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.53 142.16 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.184 -0.462 . . . . 18.31 110.078 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -91.17 154.34 19.4 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.226 -0.443 . . . . 14.96 110.435 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -93.18 133.5 34.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.426 . . . . 15.09 110.167 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 161.04 11.44 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.871 -0.891 . . . . 12.02 110.871 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.83 -31.75 8.04 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.292 -0.723 . . . . 9.91 111.292 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 58.35 79.43 0.21 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.97 0.414 . . . . 14.61 110.949 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.4 58.05 9.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.071 -0.812 . . . . 7.59 111.071 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.75 144.43 27.87 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.775 1.65 . . . . 6.39 112.07 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -100.23 44.43 1.02 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.115 0.484 . . . . 8.83 110.419 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 t -123.97 142.59 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.878 -0.601 . . . . 3.57 110.527 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t 59.12 68.61 0.79 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.171 -0.468 . . . . 2.68 110.929 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -163.19 -50.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.985 -0.552 . . . . 1.21 110.526 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -66.58 -59.13 8.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.1 -0.5 . . . . 1.15 111.217 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 13.1 Cg_endo -56.01 -20.8 31.51 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 121.613 1.542 . . . . 0.5 112.803 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.76 -49.6 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 1.08 110.152 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 1.05 110.825 178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.33 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 1.04 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 1.04 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.58 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 3.52 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 1.05 110.516 171.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.57 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.74 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.94 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 1.07 110.777 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.64 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.72 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.011 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 1.09 110.067 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.36 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.76 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 1.05 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 1.04 110.167 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 1.33 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.55 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 1.06 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 1.08 111.03 -176.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.55 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.9 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 1.26 111.574 -172.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.62 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 1.1 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 1.05 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 1.04 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 1.11 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.75 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 1.66 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.885 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.66 110.741 -176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.54 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.76 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.74 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 1.03 110.388 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.42 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 1.41 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 1.03 110.39 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.44 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 1.07 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.42 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.24 111.026 -174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.21 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.19 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 1.05 110.807 -176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.85 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.15 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.12 110.772 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 1.04 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.761 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 1.01 110.003 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.862 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 1.07 111.808 -172.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 1.23 110.957 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 1.02 109.864 173.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 1.02 110.028 178.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.62 111.28 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 1.03 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 1.04 111.036 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 1.04 110.256 176.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.24 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 1.05 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.332 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.9 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.78 110.82 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.8 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.99 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.79 110.549 -177.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.74 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 2.19 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.26 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 1.04 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.63 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 1.01 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.57 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 2.13 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 1.04 110.421 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.84 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 1.01 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.789 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.59 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 1.08 110.482 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 1.09 111.05 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.74 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 1.08 111.443 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.67 -8.21 29.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 1.45 112.192 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.48 -36.24 68.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.594 0.235 . . . . 1.37 110.602 177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.771 0 CA-C-O 118.032 -1.427 . . . . 2.62 110.929 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.41 -0.589 . . . . 33.32 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 154.82 40.97 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.14 -0.482 . . . . 32.95 110.595 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -119.46 147.4 44.46 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.252 -0.431 . . . . 32.91 110.475 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.9 mtt -65.16 -37.31 86.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.195 -0.457 . . . . 34.62 110.806 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -130.09 138.3 50.64 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.247 -0.433 . . . . 31.78 110.493 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.04 134.19 16.52 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.809 -0.916 . . . . 30.32 110.809 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.91 42.14 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.798 -0.921 . . . . 29.48 110.798 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.74 155.43 47.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.643 0.259 . . . . 29.64 110.642 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -126.48 126.41 43.7 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.175 -0.466 . . . . 29.59 110.357 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.8 mmm -65.83 -38.86 90.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.31 -0.405 . . . . 27.4 110.739 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.56 34.21 67.56 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.052 -0.819 . . . . 26.44 111.052 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -64.96 -39.86 94.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.719 0.295 . . . . 28.06 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 36.16 54.64 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.935 -0.866 . . . . 25.52 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -65.83 -33.48 75.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.471 0.176 . . . . 25.43 110.923 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.1 mtm -96.15 141.55 29.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.431 -0.349 . . . . 26.24 110.59 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.5 95.22 0.1 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.967 -0.853 . . . . 24.22 110.967 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.13 144.09 32.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.623 0.249 . . . . 23.94 110.55 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.01 154.11 40.84 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.168 -0.469 . . . . 22.53 110.611 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -64.83 -37.15 86.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.288 -0.414 . . . . 21.61 110.836 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.45 149.09 27.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.197 -0.456 . . . . 20.3 110.616 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.94 147.28 32.46 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.222 -0.444 . . . . 19.72 110.516 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.07 138.88 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.25 -0.432 . . . . 18.44 110.4 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p 52.17 -87.3 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.964 -0.562 . . . . 17.42 112.003 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.03 30.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.636 0.255 . . . . 16.64 110.946 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.79 -151.29 37.29 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.866 -0.893 . . . . 14.55 110.866 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.87 112.55 0.3 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.987 -0.845 . . . . 13.06 110.987 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -67.68 -36.97 81.67 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.62 0.248 . . . . 12.81 110.716 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.69 160.36 27.39 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.85 -29.91 41.15 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.706 1.604 . . . . 8.12 112.157 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.93 138.5 31.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.304 -0.407 . . . . 9.21 110.447 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -99.65 154.97 17.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.127 -0.488 . . . . 5.3 110.56 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -67.23 176.29 2.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.19 -0.459 . . . . 4.36 110.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 83.7 p -65.71 156.78 31.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.274 -0.421 . . . . 2.02 110.749 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -178.12 -59.66 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.2 -0.454 . . . . 1.2 111.038 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.72 -20.97 30.17 Favored 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 121.677 1.584 . . . . 0.5 112.724 -176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.65 -49.52 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 1.12 110.155 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 1.05 110.756 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.51 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 1.06 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 1.05 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 1.02 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.6 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 3.52 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 1.06 110.349 171.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.65 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.65 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.94 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 1.13 110.756 -179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.41 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.55 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 2.28 110.877 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 1.05 110.053 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.53 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.57 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 1.07 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 1.0 110.148 178.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 1.24 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.69 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 1.07 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 1.07 110.937 -175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.42 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.92 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 1.18 111.564 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.62 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 1.1 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 1.09 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 1.07 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.68 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 1.65 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 1.04 110.782 -177.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.7 110.822 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.53 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.69 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 1.1 110.743 -176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 1.01 110.471 -179.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.41 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 1.41 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 1.07 110.401 178.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.46 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 1.06 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.7 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.24 110.901 -174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.21 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.19 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 1.1 110.959 -177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.84 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.15 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.12 110.773 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 1.04 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.696 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 1.03 110.005 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 1.02 110.873 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 1.09 111.656 -172.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 1.19 110.923 -175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 1.05 109.664 173.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 1.02 109.927 178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.74 111.214 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 1.01 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.939 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 1.03 110.168 176.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.39 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 1.04 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 1.05 111.27 -178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.91 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.63 110.922 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.85 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 1.02 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.55 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.9 110.501 -177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.74 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 2.19 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.26 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 1.05 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.86 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 1.05 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.57 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 2.13 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 1.05 110.334 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.85 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 1.04 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 1.06 110.683 -177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.78 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 1.08 110.418 179.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 1.05 111.039 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.74 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 1.05 111.352 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 1.48 112.134 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.95 -36.28 69.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.645 0.26 . . . . 1.5 110.668 177.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.697 0 CA-C-O 117.937 -1.48 . . . . 2.35 110.889 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.419 -0.585 . . . . 36.74 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.06 109.81 17.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.243 -0.435 . . . . 37.41 110.584 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -168.45 -51.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.144 -0.48 . . . . 36.33 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.3 ptp -142.48 169.13 18.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.111 -0.495 . . . . 36.37 110.505 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -65.56 -35.75 81.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.276 -0.42 . . . . 35.49 110.755 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.75 139.3 0.06 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.036 -0.826 . . . . 34.94 111.036 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 34.56 0.26 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.05 -0.82 . . . . 34.75 111.05 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.47 -37.49 85.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.659 0.266 . . . . 34.86 110.803 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -132.64 156.04 47.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.255 -0.429 . . . . 33.75 110.602 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.7 mtp -65.17 -35.34 80.78 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.205 -0.452 . . . . 32.3 110.83 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.81 -107.52 3.2 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.866 . . . . 30.92 110.934 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -149.11 163.98 36.02 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.587 0.232 . . . . 31.23 110.761 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.48 -57.52 0.49 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.928 -0.869 . . . . 29.29 110.928 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -65.12 -35.7 81.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.565 0.222 . . . . 28.02 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -98.32 149.4 22.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.318 -0.401 . . . . 28.11 110.518 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.79 172.6 23.57 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.905 -0.878 . . . . 26.17 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.0 32.13 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.716 0.293 . . . . 24.91 110.578 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.67 149.45 25.55 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.627 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.5 p -100.1 150.78 22.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 22.02 110.523 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.77 -44.96 72.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.212 -0.449 . . . . 21.55 110.709 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.21 159.34 28.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.278 -0.419 . . . . 19.56 110.639 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.0 132.94 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.209 -0.451 . . . . 18.31 110.036 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -144.56 149.91 36.62 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.2 -0.454 . . . . 14.96 110.638 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -112.69 133.24 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.231 -0.44 . . . . 15.09 110.075 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.25 -167.61 39.72 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.001 -0.84 . . . . 12.02 111.001 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.86 34.84 17.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.049 -0.821 . . . . 9.91 111.049 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -118.81 34.63 5.13 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.737 0.303 . . . . 14.61 110.513 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.41 140.96 47.69 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 111.095 -0.802 . . . . 7.59 111.095 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.01 171.61 17.82 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.745 1.63 . . . . 6.39 112.202 -172.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 60.32 48.15 8.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.063 0.459 . . . . 8.83 111.022 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -84.41 143.52 29.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.944 -0.571 . . . . 3.57 110.499 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -115.86 45.49 1.71 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.108 0.48 . . . . 2.68 110.503 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 t -87.66 -34.86 18.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.898 -0.592 . . . . 1.21 110.72 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -64.45 -58.86 12.22 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.304 -0.407 . . . . 1.15 111.522 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 29.2 Cg_endo -59.51 -21.69 63.01 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.303 1.336 . . . . 0.5 112.628 -167.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.47 -50.95 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 1.08 110.158 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 1.05 110.71 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.33 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 1.04 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 1.04 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 1.04 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.58 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 3.52 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 1.05 110.286 168.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.57 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.74 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.94 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 1.14 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 1.07 110.754 -179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.64 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.72 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 2.28 111.123 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 1.09 110.064 177.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.36 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.76 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 1.04 110.175 178.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 1.33 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.55 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 1.06 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 1.08 110.976 -175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.55 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.9 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 1.26 111.537 -175.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.62 110.612 178.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 1.1 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 1.05 110.693 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 1.04 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 1.11 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.75 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 1.66 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 1.06 110.858 -176.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.66 110.69 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.54 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.76 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.524 -176.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 1.03 110.471 -177.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.42 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 1.41 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 1.03 110.413 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.44 110.786 175.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 1.07 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.42 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.24 110.982 -175.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.21 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.19 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 1.05 110.722 -177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.85 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.15 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.12 110.639 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 1.04 110.23 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 1.06 110.937 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 1.01 110.178 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.002 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 1.07 111.651 -172.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 1.23 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 1.02 109.936 173.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 1.02 110.057 178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.62 111.326 -178.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 1.03 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 1.04 111.169 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 1.04 110.119 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 1.05 110.494 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.36 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.9 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.78 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.8 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.99 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.55 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.79 110.501 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.74 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 2.19 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.26 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 1.04 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.63 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 1.01 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.57 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 2.13 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 1.04 110.47 174.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.84 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 1.01 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 1.02 110.631 -178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.59 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 1.08 110.511 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 1.09 111.042 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.74 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 1.08 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.78 -8.33 34.66 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 1.45 112.065 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.42 -36.34 68.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.576 0.227 . . . . 1.37 110.519 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.953 -1.471 . . . . 2.62 110.919 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.381 -0.6 . . . . 33.32 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.86 154.2 41.71 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.255 -0.43 . . . . 32.95 110.56 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m 59.24 104.54 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.239 -0.437 . . . . 32.91 111.076 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -91.81 140.45 29.67 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.209 -0.451 . . . . 34.62 110.551 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -65.83 -36.74 84.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.209 -0.451 . . . . 31.78 110.728 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.54 36.31 26.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 30.32 110.916 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.22 72.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.878 -0.889 . . . . 29.48 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.71 -37.06 86.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.647 0.26 . . . . 29.64 110.762 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -97.19 129.51 44.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.232 -0.44 . . . . 29.59 110.598 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtt -66.3 -37.09 84.58 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.305 -0.407 . . . . 27.4 110.7 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.06 -173.15 46.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.887 -0.885 . . . . 26.44 110.887 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 64.11 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.274 0.23 . . . . 28.06 111.246 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.01 52.93 2.55 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.056 -0.818 . . . . 25.52 111.056 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.93 158.51 34.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.638 0.256 . . . . 25.43 110.676 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp -64.06 -35.45 80.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.26 -0.427 . . . . 26.24 110.924 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.05 -170.5 39.61 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.004 -0.838 . . . . 24.22 111.004 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.03 48.67 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.689 0.28 . . . . 23.94 110.635 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.92 152.47 18.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.159 -0.473 . . . . 22.53 110.453 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -63.36 -36.82 84.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.264 -0.425 . . . . 21.61 110.87 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.91 141.42 37.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.227 -0.442 . . . . 20.3 110.505 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.46 123.93 1.93 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.225 -0.443 . . . . 19.72 110.674 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.18 136.25 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.19 -0.459 . . . . 18.44 110.022 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 99.5 p -112.7 145.06 41.16 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.254 -0.43 . . . . 17.42 110.583 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.36 -38.58 77.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.187 -0.46 . . . . 16.64 110.21 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.83 35.91 23.64 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.012 -0.835 . . . . 14.55 111.012 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.24 -176.84 51.23 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.912 -0.875 . . . . 13.06 110.912 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -131.86 141.49 49.42 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.65 0.262 . . . . 12.81 110.476 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.13 155.51 16.06 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.932 -0.867 . . . . 8.77 110.932 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.98 -41.46 68.27 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 121.842 1.695 . . . . 8.12 112.293 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 58.37 33.44 23.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.258 -0.428 . . . . 9.21 111.061 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -124.84 139.25 54.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.193 -0.458 . . . . 5.3 110.525 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -170.91 -67.45 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.323 -0.399 . . . . 4.36 111.042 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.5 p -96.92 -40.28 8.97 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 2.02 111.227 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -64.07 -58.99 12.26 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.428 -0.351 . . . . 1.2 111.527 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 28.4 Cg_endo -59.44 -21.8 63.09 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.35 1.366 . . . . 0.5 112.635 -167.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.5 -50.77 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 1.12 110.169 177.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 1.05 110.68 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.51 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 1.06 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 1.05 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.6 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 3.52 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 1.06 110.169 167.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.65 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.65 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.94 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 1.13 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 1.13 110.69 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.41 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.55 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 2.28 111.032 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 1.05 110.111 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.53 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.57 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 1.07 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.221 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 1.24 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.69 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 1.07 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 1.07 110.848 -175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.42 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.92 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 1.18 111.473 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.62 110.553 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 1.1 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 1.02 110.782 -178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 1.09 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.68 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 1.65 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 1.04 110.874 -176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.7 110.733 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.53 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.69 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 1.1 110.494 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 1.01 110.556 -178.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.41 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 1.41 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 1.07 110.443 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.46 110.595 175.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 1.06 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.7 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.24 110.859 -174.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.21 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.19 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 1.1 110.87 -177.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.84 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.15 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.12 110.6 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 1.04 110.227 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 1.04 110.859 -179.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 1.03 110.205 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.02 110.947 -178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 1.09 111.491 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 1.19 110.932 -176.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 1.05 109.812 173.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 1.02 109.859 178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.74 111.191 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 1.01 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.069 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 1.03 110.168 176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.39 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 1.04 110.406 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 1.05 111.328 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.91 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.63 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.85 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 1.02 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.55 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.9 110.505 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.74 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 2.19 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.26 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 1.05 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.86 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 1.05 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.57 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 2.13 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 1.05 110.375 174.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.85 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 1.04 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 1.06 110.598 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.78 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 1.08 110.511 179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 1.05 111.06 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.74 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 1.05 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.4 mp -95.37 -8.99 34.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 1.48 112.054 -176.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.93 -36.24 69.88 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.612 0.244 . . . . 1.5 110.654 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.965 -1.464 . . . . 2.35 110.937 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.497 -0.557 . . . . 36.74 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.42 109.4 19.55 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.179 -0.464 . . . . 37.41 110.605 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.3 -36.09 82.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.209 -0.45 . . . . 36.33 110.816 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.2 mtm -104.63 147.48 27.6 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.286 -0.415 . . . . 36.37 110.642 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -136.68 33.93 2.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.254 -0.43 . . . . 35.49 110.666 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.59 -174.77 46.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.974 -0.851 . . . . 34.94 110.974 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 125.32 1.0 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.021 -0.832 . . . . 34.75 111.021 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -116.88 147.97 41.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.618 0.247 . . . . 34.86 110.534 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.23 41.63 16.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.974 0.416 . . . . 33.75 110.875 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -117.5 155.63 29.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 32.3 110.534 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.21 35.66 33.39 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.987 -0.845 . . . . 30.92 110.987 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -81.62 142.97 32.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.63 0.253 . . . . 31.23 110.509 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.51 -171.06 43.18 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.975 -0.85 . . . . 29.29 110.975 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.21 -35.85 82.35 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.603 0.239 . . . . 28.02 110.804 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -126.34 156.47 40.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.251 -0.431 . . . . 28.11 110.525 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.77 -35.78 92.33 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.153 -0.779 . . . . 26.17 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.27 156.12 42.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.649 0.261 . . . . 24.91 110.535 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 145.0 54.1 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.223 -0.444 . . . . 23.32 110.556 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -68.67 148.44 50.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 22.02 110.627 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.06 153.03 21.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.119 -0.491 . . . . 21.55 110.482 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 139.76 52.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.224 -0.444 . . . . 19.56 110.498 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.64 132.27 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.251 -0.432 . . . . 18.31 110.127 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 t -151.72 145.75 25.26 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 14.96 110.524 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.83 128.99 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 15.09 110.092 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.71 -176.2 43.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 12.02 110.872 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.17 80.12 0.2 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.107 -0.797 . . . . 9.91 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.41 -20.44 66.37 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.674 0.25 . . . . 14.61 111.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.33 171.06 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.179 -0.768 . . . . 7.59 111.179 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.68 175.18 10.86 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.911 1.741 . . . . 6.39 112.134 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -97.76 45.18 1.03 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.045 0.45 . . . . 8.83 110.528 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -145.31 146.99 31.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 3.57 110.436 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -113.18 45.16 1.41 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.08 0.467 . . . . 2.68 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -67.2 -32.56 73.71 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.82 -0.627 . . . . 1.21 111.115 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -59.23 -59.05 15.11 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.424 -0.353 . . . . 1.15 111.549 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -55.73 -21.31 31.68 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.503 1.469 . . . . 0.5 112.694 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.8 t -64.26 -47.93 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 1.08 110.226 176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 1.05 110.702 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.33 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 1.04 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 1.04 110.683 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.58 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 3.52 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 1.05 110.406 170.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.57 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.74 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.94 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 1.14 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 1.07 110.671 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.64 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.72 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 2.28 111.035 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 1.09 109.939 176.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.36 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.76 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 1.05 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 1.04 110.191 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 1.33 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.55 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 1.06 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 1.08 110.972 -176.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.55 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.9 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 1.26 111.543 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.62 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 1.1 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 1.05 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 1.04 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 1.11 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 1.66 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 1.06 110.864 -177.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.66 110.727 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.54 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.76 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.652 -176.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 1.03 110.527 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.42 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 1.41 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 1.03 110.407 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.44 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 1.07 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.42 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.24 111.053 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.21 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.19 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 1.05 110.828 -177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.85 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.15 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.12 110.709 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 1.04 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 1.06 110.886 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 1.01 110.213 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.4 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.018 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 1.07 111.668 -172.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 1.23 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 1.02 109.892 173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 1.02 110.106 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.62 111.245 -178.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 1.03 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 1.04 111.096 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 1.04 110.211 175.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.24 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 1.05 110.414 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 1.0 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.9 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.78 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.8 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.99 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.55 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.79 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.74 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 2.19 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.26 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 1.04 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.63 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 1.01 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.57 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 2.13 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 1.04 110.463 173.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.84 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 1.01 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 1.02 110.634 -178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.59 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 1.08 110.587 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 1.09 111.041 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.74 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 1.08 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.414 HD11 ' HB1' ' B' ' 34' ' ' ALA . 3.1 mm? -95.22 -8.22 36.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 1.45 111.97 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.1 -36.27 66.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.534 0.207 . . . . 1.37 110.47 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.91 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.343 -0.614 . . . . 33.32 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.05 151.59 37.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.133 -0.485 . . . . 32.95 110.539 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -114.13 32.93 5.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.19 -0.459 . . . . 32.91 110.717 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.7 143.97 29.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.326 -0.397 . . . . 34.62 110.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -124.02 161.12 26.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.277 -0.419 . . . . 31.78 110.53 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.6 -40.56 96.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.099 -0.8 . . . . 30.32 111.099 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -34.09 5.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.226 -0.75 . . . . 29.48 111.226 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -110.89 160.32 16.89 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.743 0.306 . . . . 29.64 110.532 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.42 131.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.167 -0.47 . . . . 29.59 110.857 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.9 mmm -85.83 140.42 30.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.091 -0.504 . . . . 27.4 110.599 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.08 -62.79 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.921 -0.872 . . . . 26.44 110.921 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -65.9 -35.97 82.12 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.671 0.272 . . . . 28.06 110.801 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.26 102.12 0.21 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.869 -0.892 . . . . 25.52 110.869 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -65.43 -36.18 83.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.688 0.28 . . . . 25.43 110.866 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -130.18 158.21 40.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.233 -0.439 . . . . 26.24 110.562 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.4 139.03 29.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.881 -0.888 . . . . 24.22 110.881 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.38 80.36 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.535 0.207 . . . . 23.94 110.728 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.63 136.96 39.68 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.307 -0.406 . . . . 22.53 110.668 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -126.64 144.25 50.97 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.219 -0.446 . . . . 21.61 110.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 137.54 45.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.223 -0.444 . . . . 20.3 110.608 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.76 142.41 10.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 19.72 110.496 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.84 -36.85 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.137 -0.483 . . . . 18.44 110.492 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 21.6 m -62.39 -39.09 92.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.312 -0.403 . . . . 17.42 111.248 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -68.51 -31.68 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.337 -0.392 . . . . 16.64 111.045 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.31 43.27 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.996 -0.842 . . . . 14.55 110.996 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.41 -178.01 52.12 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.888 -0.885 . . . . 13.06 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -123.01 140.04 53.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.715 0.293 . . . . 12.81 110.528 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.58 167.07 5.5 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 8.77 110.983 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.39 146.87 88.19 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.889 1.726 . . . . 8.12 112.192 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.68 -36.33 83.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.177 -0.465 . . . . 9.21 110.749 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -119.25 149.83 41.11 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 5.3 110.544 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -64.09 -35.69 81.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.278 -0.419 . . . . 4.36 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -125.81 140.97 52.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.274 -0.421 . . . . 2.02 110.457 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.414 ' HB1' HD11 ' A' ' 138' ' ' LEU . . . -177.35 -59.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.249 -0.432 . . . . 1.2 111.196 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.48 -21.42 30.33 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 121.54 1.493 . . . . 0.5 112.665 -177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.24 -47.89 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 1.12 110.195 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 1.05 110.707 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.51 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 1.06 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 1.05 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 1.02 110.72 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.6 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 3.52 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 1.06 110.3 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.65 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.65 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.94 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 1.13 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 1.13 110.745 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.41 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.55 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 2.28 111.012 178.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 1.05 109.947 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.53 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.57 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 1.07 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.334 178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 1.24 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.69 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 1.07 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 1.07 110.914 -176.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.42 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.92 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 1.18 111.448 -174.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.62 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 1.1 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 1.02 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 1.09 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 1.07 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.68 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 1.65 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 1.04 110.812 -177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.7 110.696 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.53 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.69 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 1.1 110.611 -176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 1.01 110.589 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.41 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 1.41 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 1.07 110.412 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.46 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 1.06 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.7 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.913 -174.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.21 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.19 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 1.1 110.905 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.84 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.15 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.12 110.64 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 1.04 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 1.04 110.727 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 1.03 110.155 179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 1.02 110.929 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 1.09 111.491 -172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 1.19 110.876 -176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 1.05 109.782 173.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.97 178.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.74 111.258 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 1.01 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 1.01 110.976 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 1.03 110.106 176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.39 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 1.04 110.38 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 1.05 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.91 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.63 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.85 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 1.02 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.55 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.9 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.74 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 2.19 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.26 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 1.05 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.86 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 1.05 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.57 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 2.13 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 1.05 110.382 173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.85 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 1.04 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 1.06 110.597 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.78 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 1.08 110.453 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 1.05 111.013 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.74 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 1.05 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.404 HD11 ' HB1' ' A' ' 34' ' ' ALA . 3.1 mm? -94.74 -8.92 36.23 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 1.48 111.942 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.52 -36.23 68.27 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.665 0.269 . . . . 1.5 110.69 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.969 -1.462 . . . . 2.35 110.986 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.326 -0.62 . . . . 36.74 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.87 -59.31 0.4 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.166 -0.47 . . . . 37.41 110.531 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t 58.5 94.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.282 -0.417 . . . . 36.33 111.061 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mtp -95.42 127.28 41.34 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.161 -0.472 . . . . 36.37 110.571 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -67.43 -38.74 85.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.167 -0.47 . . . . 35.49 110.542 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.54 46.89 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.021 -0.832 . . . . 34.94 111.021 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.0 -179.49 35.51 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.906 -0.878 . . . . 34.75 110.906 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -114.66 137.01 52.42 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.705 0.288 . . . . 34.86 110.51 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -132.37 120.01 21.47 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 33.75 110.484 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.7 ttp -67.38 -37.14 82.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.219 -0.446 . . . . 32.3 110.578 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.58 -172.83 45.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.938 -0.865 . . . . 30.92 110.938 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.29 129.71 55.9 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 31.23 110.496 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.91 -40.3 95.35 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.277 -0.729 . . . . 29.29 111.277 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -142.65 148.58 37.64 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.667 0.27 . . . . 28.02 110.629 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.84 153.54 21.21 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.18 -0.464 . . . . 28.11 110.583 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.71 171.19 40.61 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 26.17 110.979 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.39 154.03 37.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.615 0.245 . . . . 24.91 110.58 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.81 153.91 38.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 23.32 110.562 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -120.98 144.94 48.24 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.496 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.05 153.77 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.203 -0.453 . . . . 21.55 111.083 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 90.52 4.91 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.428 . . . . 19.56 110.57 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.76 129.99 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.18 -0.464 . . . . 18.31 110.038 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -137.54 147.77 45.41 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.194 -0.457 . . . . 14.96 110.609 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -125.12 134.04 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 15.09 109.989 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.97 -162.95 32.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.989 -0.845 . . . . 12.02 110.989 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 34.99 13.53 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.076 -0.81 . . . . 9.91 111.076 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.78 30.77 6.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.589 0.233 . . . . 14.61 110.863 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.72 1.61 Allowed Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.94 -0.864 . . . . 7.59 110.94 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 153.83 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.722 1.615 . . . . 6.39 112.063 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 59.9 47.71 9.7 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.1 0.476 . . . . 8.83 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.9 t -104.14 142.84 33.79 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.919 -0.582 . . . . 3.57 110.558 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.6 t -108.04 49.45 0.81 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.17 0.51 . . . . 2.68 110.469 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -75.99 -34.6 59.76 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.959 -0.564 . . . . 1.21 111.122 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -63.68 -59.09 12.52 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.565 -0.289 . . . . 1.15 111.535 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 28.3 Cg_endo -59.65 -24.55 75.81 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.38 1.387 . . . . 0.5 112.582 -167.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -64.89 -48.85 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 1.08 110.176 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 1.05 110.708 178.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.33 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 1.04 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 1.04 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 1.04 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.58 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 3.52 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 1.05 110.497 170.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.57 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.74 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.94 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 1.14 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 1.07 110.761 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.64 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.72 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 2.28 111.07 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 1.09 110.043 177.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.36 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.76 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 1.05 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 1.04 110.092 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 1.33 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.55 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 1.06 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 1.08 110.878 -176.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.55 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.9 110.994 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 1.26 111.586 -173.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.62 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 1.1 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 1.05 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 1.04 110.801 -179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 1.11 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.75 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 1.66 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 1.06 111.008 -176.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.66 110.642 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.54 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.76 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.614 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 1.03 110.547 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.42 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 1.41 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 1.03 110.343 177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.44 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 1.07 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.42 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.24 111.025 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.21 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.19 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 1.05 110.696 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.85 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.15 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.12 110.645 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 1.04 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.842 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 1.01 109.981 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.842 -179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 1.07 111.826 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 1.23 110.857 -175.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 1.02 109.854 173.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 1.02 109.873 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.62 111.354 -177.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 1.03 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 1.04 111.173 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 1.04 110.201 176.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.24 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 1.05 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 1.0 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.9 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.78 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.8 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.99 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.55 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.79 110.457 -177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.74 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 2.19 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.26 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 1.04 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.63 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 1.01 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.57 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 2.13 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 1.04 110.457 173.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.84 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 1.01 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 1.02 110.756 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.59 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 1.08 110.511 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 1.09 111.17 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.74 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 1.08 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -95.09 -8.29 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 1.45 112.035 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.97 -36.26 69.78 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.634 0.254 . . . . 1.37 110.557 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.018 -1.435 . . . . 2.62 110.98 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.394 -0.595 . . . . 33.32 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.87 156.23 43.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.182 -0.463 . . . . 32.95 110.544 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -125.46 155.31 40.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.213 -0.449 . . . . 32.91 110.554 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.4 ttm -95.59 138.03 33.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.201 -0.454 . . . . 34.62 110.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.54 158.87 42.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.248 -0.433 . . . . 31.78 110.696 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.48 -137.68 2.27 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 30.32 110.957 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.61 161.64 24.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 29.48 110.921 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -67.03 -36.81 82.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.538 0.208 . . . . 29.64 110.718 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.91 -36.4 84.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.298 -0.41 . . . . 29.59 110.984 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -99.66 141.07 32.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.338 -0.392 . . . . 27.4 110.704 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.57 -172.71 43.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.959 -0.856 . . . . 26.44 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.58 143.44 54.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.638 0.256 . . . . 28.06 110.535 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.59 50.68 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.868 -0.893 . . . . 25.52 110.868 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -115.31 149.95 37.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.668 0.27 . . . . 25.43 110.567 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.0 mtm -94.02 -178.38 4.62 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.181 -0.463 . . . . 26.24 110.57 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.44 35.89 6.08 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.057 -0.817 . . . . 24.22 111.057 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.05 152.4 40.06 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.586 0.231 . . . . 23.94 110.529 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.13 -57.45 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.29 -0.414 . . . . 22.53 110.664 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -65.77 -38.61 89.51 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.248 -0.433 . . . . 21.61 110.728 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.01 78.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.201 -0.454 . . . . 20.3 110.672 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.94 155.96 38.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.206 -0.452 . . . . 19.72 110.575 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.51 134.12 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.199 -0.455 . . . . 18.44 110.073 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 44.5 t -152.3 -49.1 0.11 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.193 -0.458 . . . . 17.42 110.604 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.14 133.63 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.293 -0.412 . . . . 16.64 110.081 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.44 -178.55 32.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.915 -0.874 . . . . 14.55 110.915 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.11 -51.26 0.71 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.003 -0.839 . . . . 13.06 111.003 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -129.04 138.95 52.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.631 0.253 . . . . 12.81 110.566 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.5 165.42 26.42 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.843 -0.903 . . . . 8.77 110.843 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.77 132.51 30.83 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.61 1.54 . . . . 8.12 111.992 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -66.92 -39.52 87.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 9.21 110.769 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.0 m -139.66 150.98 45.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.267 -0.424 . . . . 5.3 110.615 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -124.5 147.95 48.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.176 -0.466 . . . . 4.36 110.474 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 18.29 12.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.267 -0.424 . . . . 2.02 111.696 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -79.49 -59.22 0.6 Allowed Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 121.288 -0.165 . . . . 1.2 111.361 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 27.2 Cg_endo -59.4 -24.82 76.26 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.399 1.399 . . . . 0.5 112.48 -167.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.77 -48.85 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 1.12 110.137 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 1.05 110.73 178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.51 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 1.06 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 1.05 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 1.02 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.6 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 3.52 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 1.06 110.272 170.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.65 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.65 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.94 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 1.13 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 1.13 110.75 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.41 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.55 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 2.28 110.987 178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 1.05 110.15 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.53 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.57 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 1.07 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.196 178.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 1.24 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.69 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 1.07 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 1.07 110.873 -176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.42 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.92 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 1.18 111.482 -173.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.62 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 1.1 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 1.02 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 1.09 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 1.07 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.68 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 1.65 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 1.04 110.906 -176.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.7 110.644 -177.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.53 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.69 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 1.1 110.587 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 1.01 110.601 -177.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.41 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 1.41 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 1.07 110.302 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.46 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 1.06 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.7 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.24 110.904 -174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.21 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.19 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 1.1 110.857 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.84 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.15 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.12 110.654 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 1.04 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 1.04 110.767 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 1.03 110.043 179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 1.02 110.718 -179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 1.09 111.624 -173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 1.19 111.03 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 1.05 109.694 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 1.02 109.823 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.74 111.314 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 1.01 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 1.01 111.032 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 1.03 110.203 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.39 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 1.04 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 1.05 111.298 -177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.91 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.63 110.868 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.85 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 1.02 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.55 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.9 110.549 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.74 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 2.19 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.26 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 1.05 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.86 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.57 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 2.13 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 1.05 110.308 173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.85 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 1.04 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 1.06 110.583 -177.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.78 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 1.08 110.491 178.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 1.05 111.207 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.74 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 1.05 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.7 mp -94.65 -9.02 36.24 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 1.48 111.996 -175.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.51 -36.09 70.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.067 -0.253 . . . . 1.5 110.695 178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.977 -1.457 . . . . 2.35 110.942 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.339 -0.615 . . . . 36.74 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.02 53.89 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.234 -0.439 . . . . 37.41 110.607 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -116.86 33.45 5.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.165 -0.471 . . . . 36.33 110.736 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -95.28 143.05 26.98 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.307 -0.406 . . . . 36.37 110.518 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.42 161.17 25.3 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 35.49 110.443 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.38 141.97 5.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.931 -0.868 . . . . 34.94 110.931 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.98 -177.01 50.06 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 34.75 110.879 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.88 -35.93 82.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.615 0.245 . . . . 34.86 110.878 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -113.0 150.76 31.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.199 -0.455 . . . . 33.75 110.565 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -106.29 152.51 23.45 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.218 -0.447 . . . . 32.3 110.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.19 35.87 29.04 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.019 -0.832 . . . . 30.92 111.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.67 -37.4 87.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.612 0.244 . . . . 31.23 110.706 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.33 111.73 0.5 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.954 -0.858 . . . . 29.29 110.954 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -66.49 -33.96 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.517 0.199 . . . . 28.02 110.912 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.0 160.34 34.84 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.392 -0.367 . . . . 28.11 110.593 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.12 -115.07 0.49 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 26.17 110.971 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.74 96.35 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.643 0.259 . . . . 24.91 111.019 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.71 145.43 52.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.163 -0.471 . . . . 23.32 110.598 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -143.28 161.23 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.553 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.11 149.86 35.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.244 -0.435 . . . . 21.55 110.515 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 159.1 42.04 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.125 -0.489 . . . . 19.56 110.571 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -105.73 132.42 52.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.242 -0.435 . . . . 18.31 110.109 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -144.16 152.41 40.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.244 -0.435 . . . . 14.96 110.566 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -111.81 138.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.267 -0.424 . . . . 15.09 110.095 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.55 -171.1 31.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.885 -0.886 . . . . 12.02 110.885 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.41 -93.16 0.11 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.937 -0.865 . . . . 9.91 110.937 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.49 29.51 4.39 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.641 0.258 . . . . 14.61 111.017 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.38 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 7.59 110.973 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.13 154.47 66.24 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.706 1.604 . . . . 6.39 112.099 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.18 47.66 9.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.222 -0.444 . . . . 8.83 110.973 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 t -116.85 140.48 49.39 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.959 -0.564 . . . . 3.57 110.492 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -134.05 45.42 2.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.09 0.472 . . . . 2.68 110.433 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -84.67 -33.61 23.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.873 -0.603 . . . . 1.21 110.865 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -62.97 -59.02 13.6 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.376 -0.374 . . . . 1.15 111.535 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 27.7 Cg_endo -59.3 -23.02 68.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.401 1.401 . . . . 0.5 112.576 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.4 t -64.1 -48.44 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 1.08 110.229 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 1.05 110.754 178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.33 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 1.04 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 1.04 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 1.04 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.58 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 3.52 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 1.05 110.398 168.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.57 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.74 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.94 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 1.07 110.71 -178.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.64 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.72 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 2.28 111.043 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 1.09 109.925 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.36 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.76 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 1.05 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 1.04 110.182 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 1.33 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.55 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 1.06 110.874 -178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 1.08 111.112 -175.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.55 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.9 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 1.26 111.477 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.62 110.52 178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 1.1 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 1.05 110.697 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 1.04 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 1.11 110.874 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.75 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 1.66 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 1.06 110.869 -177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.66 110.648 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.54 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.76 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.592 -176.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 1.03 110.549 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.42 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 1.41 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 1.03 110.319 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.44 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 1.07 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.24 110.998 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.21 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.19 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 1.05 110.698 -177.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.85 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.15 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.12 110.666 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 1.04 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 1.06 110.812 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 1.01 109.942 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.752 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 1.07 111.893 -173.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 1.23 110.812 -176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 1.02 109.858 173.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 1.02 110.029 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.62 111.309 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 1.03 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 1.04 111.084 179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 1.04 110.222 176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.24 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 1.05 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 1.0 111.318 -176.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.9 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.78 111.317 -174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.8 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.99 110.414 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.55 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.79 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.74 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 2.19 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.26 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 1.04 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.63 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 1.01 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.57 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 2.13 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 1.04 110.446 173.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.84 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 1.01 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 1.02 110.646 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.59 111.203 -177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 1.08 110.48 178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 1.09 111.1 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.74 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 1.08 111.419 -173.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 mp -94.98 -8.21 37.57 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 1.45 112.191 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.98 -36.34 69.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 121.157 -0.217 . . . . 1.37 110.575 177.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.982 -1.454 . . . . 2.62 110.899 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.394 -0.595 . . . . 33.32 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.29 150.96 37.59 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.237 -0.438 . . . . 32.95 110.544 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.08 147.85 47.57 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.224 -0.443 . . . . 32.91 110.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.4 mtp -65.41 -35.76 81.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.194 -0.457 . . . . 34.62 110.875 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.77 158.53 43.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.268 -0.423 . . . . 31.78 110.736 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.72 -173.15 48.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.959 -0.856 . . . . 30.32 110.959 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 80.83 0.09 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 29.48 110.85 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.13 -47.42 71.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.533 0.206 . . . . 29.64 110.86 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 -41.48 76.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.294 -0.412 . . . . 29.59 110.726 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -139.67 151.96 46.35 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.219 -0.446 . . . . 27.4 110.526 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.53 -166.26 34.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.858 -0.897 . . . . 26.44 110.858 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -92.51 104.0 16.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.674 0.273 . . . . 28.06 110.511 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.47 94.11 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.071 -0.811 . . . . 25.52 111.071 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.7 m 57.24 30.55 18.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.712 0.291 . . . . 25.43 111.335 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.6 mmt -65.72 -36.72 84.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.369 -0.378 . . . . 26.24 110.765 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.18 34.49 55.03 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.995 -0.842 . . . . 24.22 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.07 144.18 47.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.649 0.261 . . . . 23.94 110.539 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.54 137.57 36.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 22.53 110.566 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.3 t -142.62 147.04 35.15 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.212 -0.449 . . . . 21.61 110.533 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.72 151.99 38.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 20.3 110.573 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.98 -179.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.285 -0.416 . . . . 19.72 111.024 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.1 135.0 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.192 -0.458 . . . . 18.44 110.101 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.4 m -144.27 -56.72 0.37 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.169 -0.469 . . . . 17.42 110.547 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 t 60.27 99.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.243 -0.435 . . . . 16.64 110.613 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.24 -94.76 0.14 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.89 . . . . 14.55 110.876 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.92 -174.07 50.05 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.901 -0.88 . . . . 13.06 110.901 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -93.6 131.8 38.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.7 0.286 . . . . 12.81 110.544 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 148.83 5.31 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.29 -33.29 30.86 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.688 1.592 . . . . 8.12 112.002 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -131.07 151.19 51.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.21 -0.45 . . . . 9.21 110.519 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -126.68 145.74 50.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.216 -0.447 . . . . 5.3 110.53 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -142.48 140.13 31.77 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.172 -0.467 . . . . 4.36 110.347 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -96.41 -37.21 10.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.24 -0.436 . . . . 2.02 111.008 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.41 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -65.74 -59.24 9.56 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.381 -0.372 . . . . 1.2 111.484 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 26.1 Cg_endo -59.26 -23.04 67.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.437 1.424 . . . . 0.5 112.574 -168.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 24.5 t -64.15 -48.31 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 1.12 110.202 177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 1.05 110.721 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.51 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 1.06 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 1.05 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 1.02 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.6 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 3.52 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 1.06 110.119 168.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.65 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.94 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 1.13 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 1.13 110.734 -178.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.41 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.55 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 2.28 111.032 178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 1.05 110.142 176.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.53 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.57 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 1.07 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 1.0 110.198 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 1.24 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.69 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 1.07 110.912 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 1.07 111.008 -175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.42 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 1.18 111.379 -175.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.62 110.533 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 1.1 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 1.02 110.715 -178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 1.09 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 1.07 110.804 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.68 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 1.65 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 1.04 110.847 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.7 110.762 -177.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.53 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.69 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 1.1 110.654 -176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 1.01 110.603 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.41 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 1.41 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 1.07 110.309 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.46 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 1.06 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.7 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.817 -174.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.21 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.19 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 1.1 110.834 -177.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.84 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.15 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.12 110.619 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 1.04 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 1.04 110.679 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 1.03 109.921 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 1.02 110.74 -179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 1.09 111.692 -173.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 1.19 110.928 -175.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 1.05 109.702 173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 1.02 109.919 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.74 111.285 -177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 1.01 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 1.01 111.026 179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 1.03 110.186 176.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.39 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 1.05 111.379 -177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.91 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.63 111.242 -174.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.85 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 1.02 110.435 -176.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.55 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.9 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.74 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 2.19 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.26 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 1.05 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.86 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.57 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 2.13 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 1.05 110.349 173.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.85 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 1.04 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 1.06 110.567 -177.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.78 111.024 -177.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 1.08 110.425 178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 1.05 111.15 -175.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.74 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 1.05 111.36 -173.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.4 mp -94.66 -8.61 37.38 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 1.48 112.127 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.66 -36.12 70.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.629 0.252 . . . . 1.5 110.658 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.924 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 36.74 109.409 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.95 81.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.257 -0.428 . . . . 37.41 110.749 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -139.8 143.72 37.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.265 -0.425 . . . . 36.33 110.573 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.0 ttp -94.93 135.36 36.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.207 -0.451 . . . . 36.37 110.461 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -122.66 157.1 32.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.239 -0.437 . . . . 35.49 110.514 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.06 -38.61 1.5 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.824 -0.91 . . . . 34.94 110.824 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 34.49 38.75 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.006 -0.837 . . . . 34.75 111.006 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -99.52 28.24 4.76 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.547 0.213 . . . . 34.86 111.098 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -128.43 156.19 43.58 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.689 0.281 . . . . 33.75 110.48 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.82 -36.0 82.91 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.198 -0.456 . . . . 32.3 110.797 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.66 -131.52 1.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.888 -0.885 . . . . 30.92 110.888 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -63.41 -38.09 89.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.673 0.273 . . . . 31.23 110.69 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.39 -169.14 47.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.827 -0.909 . . . . 29.29 110.827 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -146.13 157.11 43.83 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.622 0.249 . . . . 28.02 110.614 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -135.62 164.07 28.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.205 -0.452 . . . . 28.11 110.423 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.26 51.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.967 -0.853 . . . . 26.17 110.967 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.54 80.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.613 0.244 . . . . 24.91 110.779 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.2 87.09 0.83 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.311 -0.404 . . . . 23.32 110.456 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -151.52 166.12 32.13 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 22.02 110.571 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.84 117.83 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.262 -0.426 . . . . 21.55 110.965 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 151.81 46.35 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.117 -0.492 . . . . 19.56 110.639 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.35 133.54 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.232 -0.44 . . . . 18.31 110.14 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -139.57 149.42 43.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 14.96 110.49 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.03 134.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.252 -0.431 . . . . 15.09 110.094 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.58 -124.91 0.17 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.916 -0.874 . . . . 12.02 110.916 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.84 40.36 12.16 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.035 -0.826 . . . . 9.91 111.035 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.64 29.14 4.64 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.64 0.257 . . . . 14.61 111.067 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.96 147.33 7.89 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 7.59 110.978 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -81.22 178.85 6.38 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.877 1.718 . . . . 6.39 112.169 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 60.15 81.14 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.144 -0.48 . . . . 8.83 111.09 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.0 t -71.02 149.13 46.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 3.57 110.448 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.7 t -129.27 49.04 2.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.09 0.471 . . . . 2.68 110.491 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -90.01 -35.52 15.47 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.93 -0.577 . . . . 1.21 110.76 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.416 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -65.15 -59.18 10.45 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.294 -0.412 . . . . 1.15 111.367 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 13.2 Cg_endo -56.14 -20.53 31.4 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.622 1.548 . . . . 0.5 112.89 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.4 -51.39 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 1.08 110.156 177.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 1.05 110.777 178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.33 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 1.04 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 1.04 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.58 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 3.52 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 1.05 110.434 172.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.57 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.74 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.94 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 1.14 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 1.07 110.752 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.64 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.72 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 2.28 111.084 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 1.09 109.926 177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.36 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.76 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 1.05 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 1.04 110.201 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 1.33 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.55 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 1.06 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 1.08 110.99 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.55 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.9 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 1.26 111.579 -174.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.62 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 1.1 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 1.05 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 1.04 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 1.11 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 1.66 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 1.06 110.837 -177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.66 110.661 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.54 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.76 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 1.03 110.443 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.42 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 1.41 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 1.03 110.371 178.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.44 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 1.07 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.42 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.24 111.057 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.21 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.19 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 1.05 110.758 -177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.85 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.15 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.12 110.708 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 1.04 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 1.06 110.874 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 1.01 110.239 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.065 -179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 1.07 111.639 -172.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 1.23 110.537 -176.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 1.02 109.861 173.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 1.02 110.101 177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.62 111.3 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 1.03 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 1.04 111.158 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 1.04 110.244 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.24 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 1.05 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.312 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.9 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.78 110.868 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.8 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.99 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.55 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.79 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.74 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 2.19 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.26 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 1.04 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.63 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 1.01 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.57 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 2.13 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 1.04 110.615 173.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.84 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 1.01 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 1.02 110.685 -177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.59 111.159 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 1.08 110.513 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 1.09 111.113 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.74 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 1.08 111.456 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.2 mp -96.09 -8.38 33.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 1.45 112.064 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.91 -36.33 67.26 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.584 0.231 . . . . 1.37 110.527 177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.77 0 CA-C-O 117.983 -1.454 . . . . 2.62 110.923 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.457 -0.572 . . . . 33.32 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.01 144.82 54.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 32.95 110.66 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -111.17 141.71 44.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.287 -0.415 . . . . 32.91 110.572 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.2 ttt -150.13 -49.21 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.224 -0.444 . . . . 34.62 110.537 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -65.54 -39.88 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.268 -0.424 . . . . 31.78 110.658 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.24 45.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.984 -0.846 . . . . 30.32 110.984 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -163.45 49.32 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.884 -0.886 . . . . 29.48 110.884 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.71 128.11 42.3 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.639 0.256 . . . . 29.64 110.386 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -101.54 144.3 30.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.184 -0.462 . . . . 29.59 110.672 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.89 -34.53 78.35 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.232 -0.44 . . . . 27.4 110.877 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.2 35.19 9.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.058 -0.817 . . . . 26.44 111.058 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -134.67 145.34 48.46 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.641 0.258 . . . . 28.06 110.433 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -35.55 4.16 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.988 -0.845 . . . . 25.52 110.988 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.8 t -126.37 140.5 52.45 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.63 0.253 . . . . 25.43 110.463 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.79 127.28 41.69 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.2 -0.455 . . . . 26.24 110.558 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -176.62 47.12 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.958 -0.857 . . . . 24.22 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.67 117.03 27.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.633 0.254 . . . . 23.94 110.587 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.16 147.16 37.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.273 -0.421 . . . . 22.53 110.498 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p -139.08 149.77 44.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.206 -0.452 . . . . 21.61 110.602 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.08 33.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 20.3 110.569 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.17 154.89 25.95 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.16 -0.473 . . . . 19.72 110.563 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -104.13 132.82 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.215 -0.448 . . . . 18.44 110.02 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 46.9 m -122.64 149.03 44.56 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.206 -0.452 . . . . 17.42 110.515 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.84 134.36 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.221 -0.445 . . . . 16.64 110.095 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.69 68.9 0.06 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.991 -0.843 . . . . 14.55 110.991 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 178.91 53.22 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.81 -0.916 . . . . 13.06 110.81 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.87 24.14 13.31 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.448 0.166 . . . . 12.81 111.337 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.56 84.74 0.07 OUTLIER Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.204 -0.759 . . . . 8.77 111.204 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.0 97.07 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.654 1.569 . . . . 8.12 111.941 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.28 -35.1 79.52 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.142 -0.481 . . . . 9.21 110.986 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -90.93 135.82 33.49 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.344 -0.389 . . . . 5.3 110.635 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -88.98 -33.36 17.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.153 -0.476 . . . . 4.36 110.966 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -112.81 151.44 30.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 2.02 110.627 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.406 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -176.92 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.217 -0.447 . . . . 1.2 111.158 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 12.1 Cg_endo -55.93 -20.73 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.696 1.597 . . . . 0.5 112.824 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.13 -51.39 69.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 1.12 110.18 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 1.05 110.701 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.51 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 1.06 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 1.02 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.6 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 3.52 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 1.06 110.279 172.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.65 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.65 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.94 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 1.13 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 1.13 110.817 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.41 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.55 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 2.28 111.003 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 1.05 110.018 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.53 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.57 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 1.07 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.261 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 1.24 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.69 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 1.07 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 1.07 110.913 -175.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.42 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.92 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 1.18 111.554 -174.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.62 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 1.1 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 1.02 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 1.09 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 1.07 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.68 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 1.65 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 1.04 110.897 -177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.7 110.653 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.53 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.69 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 1.1 110.544 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 1.01 110.502 -178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.41 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 1.41 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 1.07 110.422 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.46 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 1.06 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.7 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.24 110.929 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.21 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.19 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 1.1 110.897 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.84 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.15 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.12 110.668 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 1.04 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 1.04 110.802 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 1.03 110.102 179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.96 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 1.09 111.429 -172.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 1.19 110.855 -176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 1.05 109.77 173.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 1.02 109.944 177.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.74 111.268 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 1.01 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 1.01 111.0 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 1.03 110.325 176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.39 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 1.04 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 1.05 111.328 -177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.91 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.63 110.94 -176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.85 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 1.02 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.55 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.9 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.74 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 2.19 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.26 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 1.05 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.86 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 1.05 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.57 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 2.13 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 1.05 110.42 174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.85 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 1.04 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 1.06 110.672 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.78 110.9 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 1.08 110.483 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 1.05 111.123 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.74 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 1.05 111.361 -173.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.2 mp -95.64 -9.05 33.1 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 1.48 112.022 -175.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.14 68.29 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.637 0.256 . . . . 1.5 110.666 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.898 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.435 -0.58 . . . . 36.74 109.435 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.44 80.17 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.158 -0.474 . . . . 37.41 110.754 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t 59.68 178.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.371 -0.377 . . . . 36.33 110.996 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -122.99 167.39 13.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.171 -0.468 . . . . 36.37 110.521 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -118.19 162.85 17.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.189 -0.459 . . . . 35.49 110.466 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.73 -176.91 51.72 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.958 -0.857 . . . . 34.94 110.958 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -171.48 40.62 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.019 -0.832 . . . . 34.75 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.68 148.07 48.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.693 0.283 . . . . 34.86 110.515 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.54 -37.1 86.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.176 -0.465 . . . . 33.75 110.774 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.9 mtp -92.15 138.01 31.89 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.243 -0.435 . . . . 32.3 110.492 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.98 -173.96 46.12 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 30.92 111.045 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.42 146.26 34.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.574 0.226 . . . . 31.23 110.557 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.65 -163.07 13.5 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.882 -0.887 . . . . 29.29 110.882 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.0 p -100.03 30.79 3.58 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.657 0.265 . . . . 28.02 111.002 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp 59.07 32.17 21.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.782 0.325 . . . . 28.11 111.233 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.5 -174.56 35.63 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.906 -0.878 . . . . 26.17 110.906 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.15 83.72 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 24.91 110.639 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.88 149.57 27.47 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.137 -0.483 . . . . 23.32 110.471 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -142.52 133.87 26.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 22.02 110.635 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.51 -65.05 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.234 -0.439 . . . . 21.55 110.584 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.99 153.92 23.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.235 -0.439 . . . . 19.56 110.52 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.35 128.85 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.322 -0.399 . . . . 18.31 110.137 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.19 153.53 45.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 14.96 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -114.46 135.31 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.2 -0.454 . . . . 15.09 110.06 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.83 -135.09 24.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 12.02 110.915 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.1 35.5 38.3 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.959 -0.857 . . . . 9.91 110.959 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.94 31.51 5.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.657 0.265 . . . . 14.61 110.83 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.77 63.06 3.32 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.821 -0.912 . . . . 7.59 110.821 -178.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.99 145.24 49.55 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.78 1.653 . . . . 6.39 112.163 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.89 49.64 0.92 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.093 -0.503 . . . . 8.83 110.244 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 t -54.29 -68.96 0.14 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.872 -0.604 . . . . 3.57 111.555 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.1 p -170.04 79.65 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.968 0.413 . . . . 2.68 110.842 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -71.99 -30.48 65.29 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.128 -0.487 . . . . 1.21 111.046 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -55.76 -59.26 11.96 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.495 -0.32 . . . . 1.15 111.767 -177.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 14.3 Cg_endo -56.47 -19.99 31.42 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.578 1.519 . . . . 0.5 112.882 -174.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.87 -50.69 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 1.08 110.235 177.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 1.05 110.756 179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.33 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 1.04 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 1.04 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 1.04 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.58 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 3.52 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 1.05 110.283 168.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.57 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.74 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.94 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 1.14 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 1.07 110.68 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.64 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.72 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 2.28 111.116 179.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 1.09 110.103 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.76 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 1.05 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 1.04 110.265 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 1.33 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.55 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 1.06 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 1.08 110.946 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.55 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.9 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 1.26 111.686 -173.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.62 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 1.1 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 1.05 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 1.04 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 1.11 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.75 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 1.66 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 1.06 110.871 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.66 110.709 -177.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.54 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.76 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.53 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 1.03 110.519 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.42 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 1.41 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 1.03 110.324 177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.44 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 1.07 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.42 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.24 110.957 -175.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.21 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.19 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 1.05 110.658 -177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.85 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.15 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.12 110.698 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 1.04 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 1.06 110.947 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 1.01 110.184 178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.018 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 1.07 111.72 -172.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 1.23 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 1.02 109.949 173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 1.02 109.96 177.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.62 111.327 -177.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 1.03 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 1.04 111.291 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 1.04 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.24 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 1.05 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 1.0 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.9 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.78 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.8 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.99 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.55 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.79 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.74 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 2.19 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.26 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 1.04 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.63 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 1.01 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.57 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 2.13 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 1.04 110.487 174.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.84 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 1.01 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 1.02 110.721 -177.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.59 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 1.08 110.451 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 1.09 111.09 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.74 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 1.08 111.445 -173.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp -95.09 -8.22 37.21 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 1.45 112.174 -175.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.9 -36.24 69.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.643 0.258 . . . . 1.37 110.56 177.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.971 -1.46 . . . . 2.62 110.922 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 33.32 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.54 82.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.273 -0.421 . . . . 32.95 110.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -138.86 141.42 38.63 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.242 -0.436 . . . . 32.91 110.516 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.84 -36.46 83.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.193 -0.458 . . . . 34.62 110.82 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -136.76 158.5 44.3 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.208 -0.451 . . . . 31.78 110.676 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.79 -165.79 42.41 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.948 -0.861 . . . . 30.32 110.948 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.99 114.74 0.73 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 29.48 110.931 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.45 -37.07 85.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.658 0.266 . . . . 29.64 110.782 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -115.36 152.89 32.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.249 -0.432 . . . . 29.59 110.559 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.7 mtp -98.24 155.41 17.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.173 -0.467 . . . . 27.4 110.52 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.56 37.63 23.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.9 -0.88 . . . . 26.44 110.9 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -69.53 151.99 45.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.674 0.273 . . . . 28.06 110.516 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.65 -171.01 26.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 25.52 110.922 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t 67.95 -67.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.44 0.162 . . . . 25.43 110.906 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.94 -36.07 83.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.598 -0.274 . . . . 26.24 110.814 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.61 -114.99 2.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 24.22 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.06 165.6 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.69 0.281 . . . . 23.94 111.048 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.82 139.34 50.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.124 -0.489 . . . . 22.53 110.594 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -126.07 147.6 49.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.174 -0.466 . . . . 21.61 110.531 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.13 121.36 30.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.183 -0.462 . . . . 20.3 110.558 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.37 154.56 34.74 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.242 -0.435 . . . . 19.72 110.613 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.77 133.08 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.234 -0.439 . . . . 18.44 110.035 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -124.43 147.55 48.21 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.239 -0.437 . . . . 17.42 110.615 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.49 157.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.208 -0.451 . . . . 16.64 110.573 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.21 -43.7 1.26 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.921 -0.872 . . . . 14.55 110.921 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.05 -128.35 25.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.982 -0.847 . . . . 13.06 110.982 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -116.74 139.05 51.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.616 0.246 . . . . 12.81 110.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.05 66.86 2.16 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.978 -0.849 . . . . 8.77 110.978 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.61 147.38 86.24 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.775 1.65 . . . . 8.12 112.007 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -93.55 132.97 37.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.228 -0.442 . . . . 9.21 110.62 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 m -157.29 95.17 1.45 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.226 -0.443 . . . . 5.3 110.532 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.37 152.93 37.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.216 -0.447 . . . . 4.36 110.595 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.2 t -105.09 139.7 39.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.179 -0.464 . . . . 2.02 110.471 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.409 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -178.78 -60.17 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.208 -0.451 . . . . 1.2 111.36 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.14 -20.18 29.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 121.611 1.54 . . . . 0.5 112.822 -173.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.8 t -63.79 -50.6 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 1.12 110.161 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 1.05 110.761 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.51 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 1.05 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 1.02 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.6 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 3.52 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 1.06 110.085 168.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.65 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.65 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.94 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 1.13 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 1.13 110.814 -179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.41 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.55 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 2.28 111.004 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 1.05 110.074 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.53 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.57 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 1.07 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 1.0 110.258 179.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 1.24 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.69 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 1.07 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 1.07 110.934 -175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.42 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.92 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 1.18 111.637 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.62 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 1.1 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 1.02 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 1.09 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 1.07 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.68 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 1.65 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 1.04 110.832 -177.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.7 110.725 -177.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.53 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.69 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 1.1 110.608 -176.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 1.01 110.568 -177.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.41 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 1.41 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 1.07 110.368 177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.46 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 1.06 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.7 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.24 110.877 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.21 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.19 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 1.1 110.823 -177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.84 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.15 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.12 110.687 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 1.04 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 1.04 110.772 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 1.03 110.136 178.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 1.02 110.887 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 1.09 111.535 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 1.19 110.958 -176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 1.05 109.8 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 1.02 109.817 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.74 111.245 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 1.01 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 1.01 111.092 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 1.03 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.39 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 1.04 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 1.05 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.91 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.63 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.85 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 1.02 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.55 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.9 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.74 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 2.19 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.26 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 1.05 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.86 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 1.05 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.57 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 2.13 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 1.05 110.451 174.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.85 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 1.04 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 1.06 110.622 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.78 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 1.08 110.484 178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 1.05 111.11 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.74 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.299 -173.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.1 mp -94.76 -8.81 36.5 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 1.48 112.078 -175.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.15 70.88 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.607 0.242 . . . . 1.5 110.6 177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.955 -1.47 . . . . 2.35 110.95 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.404 -0.591 . . . . 36.74 109.404 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.63 95.65 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.192 -0.458 . . . . 37.41 110.61 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -164.15 -46.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 36.33 110.551 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -99.31 151.32 21.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.219 -0.446 . . . . 36.37 110.566 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -75.84 138.75 41.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.219 -0.446 . . . . 35.49 110.471 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.51 49.09 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.919 -0.872 . . . . 34.94 110.919 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.11 -121.22 0.59 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.988 -0.845 . . . . 34.75 110.988 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -103.29 141.44 35.91 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.6 0.238 . . . . 34.86 110.561 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.72 -37.04 85.3 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.273 -0.421 . . . . 33.75 110.854 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -129.67 -64.66 0.87 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.323 -0.398 . . . . 32.3 110.665 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 -170.2 47.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 30.92 110.939 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.9 146.64 51.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.66 0.267 . . . . 31.23 110.544 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.82 -75.67 1.31 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.878 -0.889 . . . . 29.29 110.878 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -70.14 153.63 42.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.665 0.269 . . . . 28.02 110.525 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.1 mmm -133.87 147.69 51.18 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.261 -0.427 . . . . 28.11 110.56 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.11 33.86 58.97 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.135 -0.786 . . . . 26.17 111.135 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -38.15 79.55 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 24.91 110.634 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 162.8 40.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.203 -0.453 . . . . 23.32 110.514 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -113.98 144.29 43.32 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.209 -0.45 . . . . 22.02 110.442 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.62 -79.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.086 -0.506 . . . . 21.55 111.006 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 167.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.751 0.31 . . . . 19.56 111.234 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -124.88 135.58 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 18.31 110.054 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -119.1 145.72 45.71 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.278 -0.419 . . . . 14.96 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -124.14 136.54 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.132 -0.485 . . . . 15.09 110.114 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.63 -73.74 2.17 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.916 -0.874 . . . . 12.02 110.916 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.73 -97.99 0.21 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.979 -0.848 . . . . 9.91 110.979 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -107.71 29.49 7.17 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.603 0.24 . . . . 14.61 111.012 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.49 84.09 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 7.59 110.997 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.03 145.56 85.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.71 1.606 . . . . 6.39 111.988 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -97.52 46.95 1.02 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.171 -0.468 . . . . 8.83 110.59 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 t -75.52 106.99 7.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.996 -0.547 . . . . 3.57 110.552 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -171.9 85.15 0.08 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 2.68 110.416 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -138.05 -48.7 0.55 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.052 -0.522 . . . . 1.21 110.779 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.89 -59.14 13.34 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.36 -0.382 . . . . 1.15 111.215 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_endo -57.55 -24.29 61.06 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.534 1.49 . . . . 0.5 112.462 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.0 t -64.64 -48.03 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 1.08 110.199 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 1.05 110.71 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.33 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 1.04 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 1.04 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.58 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 3.52 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 1.05 110.347 171.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.57 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.74 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.94 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 1.14 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 1.07 110.721 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.64 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.72 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 2.28 111.074 178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 1.09 109.88 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.36 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.76 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 1.05 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 1.04 110.237 178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 1.33 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.55 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 1.06 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 1.08 110.969 -176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.55 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.9 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 1.26 111.503 -173.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.62 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 1.1 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 1.05 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 1.04 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 1.11 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.75 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 1.66 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 1.06 110.928 -177.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.66 110.682 -177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.54 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.76 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.698 -175.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 1.03 110.519 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.42 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 1.41 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 1.03 110.42 178.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.44 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.42 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.24 111.037 -174.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.21 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.19 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 1.05 110.75 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.85 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.15 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.12 110.687 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 1.04 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 1.06 110.876 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 1.01 110.163 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.02 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 1.07 111.701 -172.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.405 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 1.23 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 1.02 110.047 173.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 1.02 110.178 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.62 111.286 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 1.03 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 1.04 111.018 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 1.04 110.255 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.24 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 1.05 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 1.0 111.385 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.9 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.78 110.9 -176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.8 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.99 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.55 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.79 110.414 -177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.74 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 2.19 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.26 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 1.04 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.63 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 1.01 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.57 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 2.13 111.044 177.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 1.04 110.423 173.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.84 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 1.01 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.633 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.59 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 1.08 110.535 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 1.09 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.74 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 1.08 111.421 -174.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.23 -8.18 25.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 1.45 112.233 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.46 41.21 0.17 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.906 0.384 . . . . 1.37 110.659 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.805 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.951 179.582 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.333 -0.618 . . . . 33.32 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 152.66 39.9 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.224 -0.443 . . . . 32.95 110.579 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -66.48 -34.02 77.0 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.232 -0.44 . . . . 32.91 110.851 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.8 mtm -132.01 158.74 40.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.359 -0.382 . . . . 34.62 110.577 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 m -83.35 137.65 33.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.245 -0.434 . . . . 31.78 110.543 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.99 -176.7 46.18 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 30.32 110.995 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.34 114.53 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.906 -0.877 . . . . 29.48 110.906 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -104.64 129.61 52.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.627 0.251 . . . . 29.64 110.432 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -141.75 36.64 1.62 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.228 -0.442 . . . . 29.59 110.416 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.3 mtp -107.96 172.31 6.91 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 27.4 110.556 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.33 -130.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.156 -0.777 . . . . 26.44 111.156 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 59.55 94.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.683 0.277 . . . . 28.06 110.996 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.08 -170.9 51.65 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 25.52 110.978 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -146.55 158.24 43.87 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.714 0.292 . . . . 25.43 110.577 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.8 mtm -103.95 134.39 47.32 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.217 -0.447 . . . . 26.24 110.523 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.39 -38.36 93.52 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.121 -0.791 . . . . 24.22 111.121 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 144.6 45.77 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.744 0.306 . . . . 23.94 110.587 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.16 145.6 53.17 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.198 -0.456 . . . . 22.53 110.556 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -140.36 -56.81 0.54 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.236 -0.438 . . . . 21.61 110.589 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.39 83.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.281 -0.418 . . . . 20.3 110.714 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.07 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.212 -0.449 . . . . 19.72 111.096 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.32 132.46 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.26 -0.427 . . . . 18.44 110.103 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -123.77 146.95 47.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.477 . . . . 17.42 110.543 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 m -131.53 151.93 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.272 -0.422 . . . . 16.64 110.676 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.54 89.07 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.188 -0.765 . . . . 14.55 111.188 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.64 39.6 11.95 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.936 -0.866 . . . . 13.06 110.936 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.0 -38.08 87.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.67 0.271 . . . . 12.81 110.748 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.58 151.85 22.44 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.869 -0.893 . . . . 8.77 110.869 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.38 137.63 21.15 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.74 1.627 . . . . 8.12 112.056 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.39 -37.28 84.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.2 -0.454 . . . . 9.21 110.744 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -128.25 153.65 46.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.187 -0.46 . . . . 5.3 110.546 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.7 p -64.59 -33.64 76.4 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.243 -0.435 . . . . 4.36 110.921 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -131.4 133.87 45.67 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.291 -0.413 . . . . 2.02 110.441 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -176.19 -59.79 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.228 -0.442 . . . . 1.2 110.964 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.22 -24.34 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 121.552 1.501 . . . . 0.5 112.46 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.6 -48.07 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 1.12 110.11 177.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.715 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.51 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 1.06 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 1.05 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 1.02 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.6 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 3.52 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 1.06 110.238 171.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.65 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.65 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.94 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 1.13 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 1.13 110.756 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.41 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.55 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 2.28 111.03 178.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 1.05 109.923 177.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.53 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.57 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 1.07 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.212 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 1.24 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.69 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 1.07 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 1.07 110.901 -175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.42 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.92 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 1.18 111.473 -173.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.62 110.651 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 1.1 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 1.02 110.853 -177.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 1.09 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 1.07 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.68 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 1.65 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 1.04 110.956 -177.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.7 110.747 -177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.53 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.69 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 1.1 110.653 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 1.01 110.612 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.41 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 1.41 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 1.07 110.385 178.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.46 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 1.06 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.7 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.24 110.957 -174.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.21 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.19 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 1.1 110.809 -177.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.84 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.15 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.12 110.732 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 1.04 110.819 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 1.03 110.149 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 1.02 110.927 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 1.09 111.507 -172.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 1.19 110.944 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 1.05 109.874 173.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 1.02 110.052 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.74 111.224 -178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 1.01 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.851 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 1.03 110.28 176.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.39 110.763 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 1.04 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 1.05 111.238 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.91 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.63 111.035 -176.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.85 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 1.02 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.55 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.9 110.413 -177.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.74 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 2.19 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.26 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 1.05 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.86 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 1.05 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.57 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 2.13 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 1.05 110.302 173.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.85 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 1.04 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 1.06 110.517 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.78 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 1.08 110.489 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.74 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 1.05 111.259 -174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.0 -8.41 25.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 1.48 112.198 -175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.34 41.21 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.993 0.425 . . . . 1.5 110.633 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.012 -1.438 . . . . 2.35 110.929 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.353 -0.61 . . . . 36.74 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.34 143.24 28.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 37.41 110.608 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -116.28 143.94 44.88 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.224 -0.444 . . . . 36.33 110.574 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.49 -35.06 79.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.27 -0.423 . . . . 36.37 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -116.28 161.79 18.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.368 -0.378 . . . . 35.49 110.516 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.57 -168.41 41.9 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.94 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.5 -64.64 0.48 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.933 -0.867 . . . . 34.75 110.933 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 59.81 34.4 21.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.888 0.375 . . . . 34.86 111.018 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 60.54 41.49 15.51 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.234 -0.439 . . . . 33.75 110.823 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.2 mmm -100.53 165.6 11.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.003 -0.544 . . . . 32.3 110.558 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.12 36.74 17.23 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.983 -0.847 . . . . 30.92 110.983 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -68.41 148.68 50.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.718 0.294 . . . . 31.23 110.659 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.03 119.14 3.51 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.795 -0.922 . . . . 29.29 110.795 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -65.61 -47.22 76.42 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.581 0.229 . . . . 28.02 110.837 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mmm -69.84 -49.37 53.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.282 -0.417 . . . . 28.11 110.584 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.94 33.15 86.48 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.249 -0.74 . . . . 26.17 111.249 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 -64.58 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.582 0.229 . . . . 24.91 110.763 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.2 38.01 2.52 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.251 -0.431 . . . . 23.32 110.539 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -106.48 143.93 33.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.179 -0.464 . . . . 22.02 110.491 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.75 150.67 24.56 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.117 -0.492 . . . . 21.55 110.539 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.89 99.78 5.32 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 19.56 110.496 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -127.71 135.33 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.487 . . . . 18.31 110.047 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -75.22 155.25 37.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 14.96 110.546 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -130.59 136.0 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.23 -0.441 . . . . 15.09 110.123 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.96 48.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.045 -0.822 . . . . 12.02 111.045 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.08 35.81 1.06 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.967 -0.853 . . . . 9.91 110.967 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.11 29.24 7.83 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.6 0.238 . . . . 14.61 110.936 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.11 60.26 6.17 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 7.59 110.998 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.2 149.39 51.6 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.766 1.644 . . . . 6.39 112.135 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -97.38 47.5 1.03 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.155 -0.475 . . . . 8.83 110.407 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.8 t -59.53 -72.17 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.055 -0.52 . . . . 3.57 111.358 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -123.87 47.14 2.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.067 0.46 . . . . 2.68 110.593 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -88.21 -38.64 15.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.953 -0.567 . . . . 1.21 110.503 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.04 -58.94 8.32 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.097 -0.501 . . . . 1.15 111.55 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -59.15 -20.92 56.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.359 1.373 . . . . 0.5 112.715 -164.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.3 t -64.61 -52.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 1.08 110.172 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 1.05 110.689 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.33 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 1.04 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 1.04 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.58 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 3.52 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 1.05 110.175 166.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.57 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.74 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.94 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 1.14 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 1.07 110.769 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.64 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.72 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 2.28 111.054 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 1.09 110.206 178.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.36 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.76 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 1.05 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 1.04 110.141 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 1.33 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.55 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 1.06 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 1.08 110.987 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.55 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.9 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 1.26 111.567 -174.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.62 110.801 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 1.1 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 1.05 110.829 -178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 1.04 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 1.11 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.75 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 1.66 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 1.06 110.829 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.66 110.65 -177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.54 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.76 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.641 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 1.03 110.592 -177.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.42 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 1.41 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 1.03 110.374 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.44 110.822 174.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 1.07 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.42 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.24 110.97 -174.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.21 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.19 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 1.05 110.734 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.85 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.15 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.12 110.736 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.303 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 1.06 110.906 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 1.01 110.171 179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.954 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 1.07 111.674 -172.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 1.23 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 1.02 109.994 172.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 1.02 110.031 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.62 111.265 -178.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 1.03 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 1.04 111.099 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 1.04 110.265 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.24 110.873 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 1.05 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 1.0 111.28 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.9 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.78 110.818 -176.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.8 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.99 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.55 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.79 110.334 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.74 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 2.19 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.26 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 1.04 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.63 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 1.01 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.57 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 2.13 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 1.04 110.54 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.84 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 1.01 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 1.02 110.624 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.59 111.128 -177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 1.08 110.514 179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 1.09 111.099 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.74 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 1.08 111.385 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 7.2 mp -95.51 -8.27 35.7 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 1.45 112.053 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.47 -36.22 68.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 121.118 -0.233 . . . . 1.37 110.559 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.014 -1.437 . . . . 2.62 110.887 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.392 -0.595 . . . . 33.32 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.02 153.43 40.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 32.95 110.526 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -154.78 -54.52 0.1 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.169 -0.469 . . . . 32.91 110.548 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.37 -36.74 84.91 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.228 -0.442 . . . . 34.62 110.825 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -137.92 153.54 49.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 31.78 110.625 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.45 152.29 0.41 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.971 -0.852 . . . . 30.32 110.971 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.33 49.21 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.868 -0.893 . . . . 29.48 110.868 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -106.73 124.1 49.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.657 0.265 . . . . 29.64 110.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -102.56 127.65 49.54 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.154 -0.476 . . . . 29.59 110.442 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.8 mtp -97.81 142.27 29.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.272 -0.422 . . . . 27.4 110.538 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.62 94.87 0.1 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.86 . . . . 26.44 110.951 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -65.73 -36.28 83.15 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.632 0.253 . . . . 28.06 110.808 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.13 -119.68 1.48 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.903 -0.879 . . . . 25.52 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 84.7 p -69.82 165.2 22.0 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.681 0.277 . . . . 25.43 110.527 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -91.32 151.53 20.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 26.24 110.532 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.91 -172.11 15.99 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 24.22 110.897 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.09 139.39 56.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.634 0.255 . . . . 23.94 110.63 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.71 39.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.456 . . . . 22.53 110.615 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.83 163.23 24.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.252 -0.431 . . . . 21.61 110.512 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.26 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.164 -0.471 . . . . 20.3 111.073 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.32 141.91 40.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.56 -0.291 . . . . 19.72 110.474 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.58 126.43 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.319 -0.4 . . . . 18.44 110.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 34.7 m -90.23 -37.19 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.166 -0.47 . . . . 17.42 110.617 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -120.79 139.72 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.206 -0.452 . . . . 16.64 110.14 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -125.06 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.029 -0.828 . . . . 14.55 111.029 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.56 -179.36 18.63 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.916 -0.874 . . . . 13.06 110.916 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.87 152.28 29.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.655 0.264 . . . . 12.81 110.516 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.26 89.56 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.43 173.57 9.55 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.757 1.638 . . . . 8.12 112.003 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -62.79 -35.48 80.02 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.241 -0.436 . . . . 9.21 110.971 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 88.6 p -130.96 148.76 52.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 5.3 110.492 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -156.67 91.82 1.25 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.249 -0.432 . . . . 4.36 110.411 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -81.15 -35.25 31.75 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.129 -0.487 . . . . 2.02 111.067 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.7 -59.25 10.87 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.467 -0.333 . . . . 1.2 111.639 -175.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -58.98 -21.08 56.51 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.452 1.435 . . . . 0.5 112.737 -164.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.7 t -64.58 -51.92 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 1.12 110.174 177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 1.05 110.676 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.51 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 1.06 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 1.05 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 1.02 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.6 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 3.52 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 1.06 110.027 166.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.65 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.65 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.94 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 1.13 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 1.13 110.682 -179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.41 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.55 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.008 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 1.05 110.166 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.53 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.57 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 1.07 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.166 178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 1.24 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.69 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 1.07 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 1.07 110.832 -175.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.42 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.92 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 1.18 111.525 -174.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.62 110.671 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 1.1 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 1.02 110.808 -178.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 1.09 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 1.07 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.68 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 1.65 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 1.04 110.803 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.7 110.715 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.53 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.69 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 1.1 110.624 -176.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 1.01 110.609 -177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.41 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 1.41 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 1.07 110.348 178.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.46 110.658 174.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 1.06 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.7 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.24 110.923 -174.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.21 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.19 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 1.1 110.899 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.84 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.15 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.12 110.712 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 1.04 110.136 177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 1.04 110.818 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 1.03 110.121 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 1.02 110.937 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 1.09 111.465 -173.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 1.19 110.96 -176.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 1.05 109.847 173.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 1.02 109.898 178.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.74 111.267 -178.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 1.01 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 1.01 110.949 179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 1.03 110.258 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.39 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 1.04 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 1.05 111.185 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.91 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.63 110.94 -176.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.85 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 1.02 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.55 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.9 110.442 -177.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.74 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 2.19 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.26 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 1.05 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.86 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 1.05 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.57 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 2.13 110.81 176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 1.05 110.489 173.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.85 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 1.04 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 1.06 110.63 -177.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.78 111.025 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 1.08 110.419 179.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 1.05 111.144 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.74 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 1.05 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 7.2 mp -95.02 -9.1 34.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 1.48 112.075 -176.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.88 -36.14 69.98 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 121.115 -0.234 . . . . 1.5 110.618 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.065 -1.408 . . . . 2.35 110.909 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.38 -0.6 . . . . 36.74 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.66 145.79 52.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.219 -0.446 . . . . 37.41 110.548 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -119.64 146.78 45.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.259 -0.428 . . . . 36.33 110.537 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -131.06 154.62 48.05 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.192 -0.458 . . . . 36.37 110.573 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -66.17 -38.12 87.28 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.192 -0.458 . . . . 35.49 110.666 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.03 45.03 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.938 -0.865 . . . . 34.94 110.938 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.65 163.36 27.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.927 -0.869 . . . . 34.75 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -92.11 -67.11 0.87 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.571 0.224 . . . . 34.86 110.66 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -101.75 18.49 20.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.36 -0.382 . . . . 33.75 111.668 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.46 -36.85 79.58 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.024 -0.27 . . . . 32.3 110.732 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.14 166.67 13.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.949 -0.86 . . . . 30.92 110.949 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -66.2 -36.45 83.1 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.62 0.248 . . . . 31.23 110.809 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.58 -175.06 46.31 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.002 -0.839 . . . . 29.29 111.002 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -121.34 149.1 43.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.599 0.238 . . . . 28.02 110.514 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 ptm -129.91 152.21 49.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.237 -0.438 . . . . 28.11 110.548 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.51 -176.1 46.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.995 -0.842 . . . . 26.17 110.995 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.26 146.37 28.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.661 0.267 . . . . 24.91 110.534 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.94 153.87 41.99 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.242 -0.436 . . . . 23.32 110.567 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.44 146.23 48.01 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.526 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.95 153.77 41.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.178 -0.464 . . . . 21.55 110.579 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.83 156.69 43.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.252 -0.431 . . . . 19.56 110.521 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -110.39 131.73 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.23 -0.441 . . . . 18.31 110.138 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -127.12 148.86 50.15 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.221 -0.445 . . . . 14.96 110.557 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.05 134.48 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.191 -0.459 . . . . 15.09 110.063 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.6 -128.93 1.66 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.041 -0.823 . . . . 12.02 111.041 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.03 -34.38 89.78 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.302 -0.719 . . . . 9.91 111.302 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -101.22 32.96 3.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.646 0.26 . . . . 14.61 110.693 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.12 141.96 46.95 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.97 -0.852 . . . . 7.59 110.97 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.61 145.5 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.6 1.534 . . . . 6.39 112.017 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -126.75 47.34 2.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.107 0.48 . . . . 8.83 110.405 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 t -114.37 140.94 48.24 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.931 -0.577 . . . . 3.57 110.449 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.9 44.62 1.18 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.17 0.51 . . . . 2.68 110.539 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 t -67.98 -31.6 71.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.751 -0.658 . . . . 1.21 111.043 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -57.11 -59.3 13.1 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.489 -0.323 . . . . 1.15 111.605 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 13.9 Cg_endo -56.54 -23.14 46.54 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.569 1.513 . . . . 0.5 112.769 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.29 -47.68 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 1.08 110.208 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 1.05 110.805 177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.33 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 1.04 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 1.04 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 1.04 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.58 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 3.52 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 1.05 110.362 171.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.57 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.74 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.94 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 1.14 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 1.07 110.769 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.64 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.72 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 2.28 111.108 177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 1.09 109.959 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.36 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.76 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 1.05 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 1.04 110.164 178.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 1.33 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.55 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 1.06 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.97 -176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.55 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.9 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 1.26 111.663 -173.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.62 110.879 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 1.1 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 1.05 110.758 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 1.04 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 1.11 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.75 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 1.66 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 1.06 110.797 -177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.66 110.617 -177.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.54 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.76 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.667 -176.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 1.03 110.499 -177.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.42 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 1.41 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 1.03 110.461 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.44 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 1.07 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.42 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.24 111.011 -174.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.21 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.19 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 1.05 110.803 -177.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.85 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.15 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.12 110.658 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 1.04 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 1.06 110.84 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 1.01 110.128 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.402 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.008 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 1.07 111.672 -172.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.402 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 1.23 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 1.02 109.834 173.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 1.02 109.876 177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.62 111.353 -177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 1.03 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 1.04 111.256 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 1.04 110.116 176.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.24 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 1.05 110.464 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 1.0 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.9 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.78 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.8 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.99 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.55 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.79 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.74 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 2.19 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.26 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 1.04 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.63 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 1.01 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.57 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 2.13 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 1.04 110.575 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.84 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 1.01 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 1.02 110.71 -176.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.59 111.239 -176.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 1.08 110.438 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 1.09 111.147 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.74 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 1.08 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 9.7 mp -95.67 -7.99 35.98 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 1.45 112.27 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.2 -36.33 74.51 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.036 -0.266 . . . . 1.37 110.593 177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.969 -1.462 . . . . 2.62 110.911 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.302 -0.629 . . . . 33.32 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 123.77 4.89 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.205 -0.452 . . . . 32.95 110.573 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -168.93 -47.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.232 -0.44 . . . . 32.91 110.571 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.7 mmm -130.57 159.22 37.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.214 -0.448 . . . . 34.62 110.574 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -89.11 140.1 29.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.225 -0.443 . . . . 31.78 110.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.9 -126.83 21.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.96 -0.856 . . . . 30.32 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.1 65.93 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.899 -0.88 . . . . 29.48 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -141.52 164.93 28.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.614 0.245 . . . . 29.64 110.717 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.16 148.69 21.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.205 -0.452 . . . . 29.59 110.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.28 -35.47 80.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.126 -0.488 . . . . 27.4 110.922 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -161.99 35.54 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.767 -0.933 . . . . 26.44 110.767 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -63.36 -41.13 98.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.622 0.249 . . . . 28.06 110.652 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.42 51.18 33.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.064 -0.814 . . . . 25.52 111.064 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -69.43 147.86 50.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.609 0.242 . . . . 25.43 110.625 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.31 -36.64 79.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.449 . . . . 26.24 110.847 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.51 -69.33 1.24 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.115 -0.794 . . . . 24.22 111.115 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.49 94.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.779 0.324 . . . . 23.94 110.971 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.59 30.62 20.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.18 -0.464 . . . . 22.53 111.362 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -67.44 -36.32 80.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.413 -0.358 . . . . 21.61 110.814 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.15 173.58 12.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.249 -0.432 . . . . 20.3 110.543 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.91 79.29 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.208 -0.451 . . . . 19.72 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -117.16 132.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.399 . . . . 18.44 110.037 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -146.75 34.76 0.93 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.257 -0.429 . . . . 17.42 110.671 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.18 136.18 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 16.64 110.08 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.06 -163.79 34.84 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.996 -0.842 . . . . 14.55 110.996 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.14 147.64 22.56 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.891 -0.884 . . . . 13.06 110.891 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -125.88 147.01 49.59 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.663 0.268 . . . . 12.81 110.64 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.98 154.16 19.26 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.768 -0.933 . . . . 8.77 110.768 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -65.5 -65.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.637 1.558 . . . . 8.12 112.045 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -147.88 -67.92 0.24 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.449 -0.341 . . . . 9.21 110.508 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t 56.86 28.14 14.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 5.3 111.508 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -151.9 161.48 42.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.521 -0.309 . . . . 4.36 110.656 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -149.03 94.02 2.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.171 -0.468 . . . . 2.02 110.396 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -177.52 -60.11 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.205 -0.452 . . . . 1.2 111.119 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.16 -23.36 44.52 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 121.621 1.547 . . . . 0.5 112.719 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.12 -47.62 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 1.12 110.258 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 1.05 110.761 177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.51 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 1.06 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 1.05 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 1.02 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.6 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 3.52 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 1.06 110.128 171.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.65 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.65 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.94 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 1.13 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 1.13 110.784 -178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.41 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.55 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 2.28 110.99 177.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 1.05 110.097 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.53 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.57 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 1.07 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.194 178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 1.24 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.69 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 1.07 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 1.07 110.948 -176.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.42 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.92 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 1.18 111.509 -173.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.62 110.813 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 1.1 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 1.02 110.829 -178.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 1.09 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 1.07 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.68 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 1.65 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 1.04 110.837 -177.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.7 110.755 -177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.53 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.69 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.655 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 1.01 110.531 -177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.41 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 1.41 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 1.07 110.385 178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.46 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 1.06 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.7 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.24 110.871 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.21 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.19 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 1.1 110.885 -177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.84 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.15 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.12 110.676 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 1.04 110.79 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 1.03 110.074 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 1.02 110.948 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 1.09 111.497 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 1.19 110.945 -176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 1.05 109.781 174.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 1.02 109.77 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.74 111.35 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 1.01 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 1.01 111.124 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 1.03 110.202 176.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.39 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 1.04 110.327 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 1.05 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.91 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.63 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.85 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 1.02 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.55 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.9 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.74 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 2.19 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.26 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 1.05 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.86 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 1.05 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.57 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 2.13 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 1.05 110.481 174.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.85 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 1.04 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 1.06 110.647 -176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.78 111.093 -176.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 1.08 110.391 178.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 1.05 111.105 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.74 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 1.05 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 9.7 mp -95.61 -8.36 35.14 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 1.48 112.235 -173.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.98 -36.17 74.99 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.98 -0.288 . . . . 1.5 110.618 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.045 -1.42 . . . . 2.35 110.948 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.315 -0.624 . . . . 36.74 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 -78.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 37.41 110.996 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -115.43 143.7 44.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.645 0.26 . . . . 36.33 110.474 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -82.05 113.71 20.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.216 -0.447 . . . . 36.37 110.541 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -38.21 83.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.132 -0.486 . . . . 35.49 110.588 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.92 -176.03 42.88 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.952 -0.859 . . . . 34.94 110.952 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.68 -107.32 3.11 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.897 -0.881 . . . . 34.75 110.897 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -94.36 148.74 21.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.642 0.258 . . . . 34.86 110.504 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -100.89 143.38 31.1 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 33.75 110.586 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.42 -35.93 82.4 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.289 -0.414 . . . . 32.3 110.841 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.65 33.82 37.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.133 -0.787 . . . . 30.92 111.133 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.68 -38.36 89.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 31.23 110.581 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.46 -120.14 3.77 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.97 -0.852 . . . . 29.29 110.97 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -117.37 147.75 42.37 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.696 0.284 . . . . 28.02 110.497 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mtp -64.91 -35.46 81.22 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.175 -0.466 . . . . 28.11 110.957 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.78 -169.92 17.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.012 -0.835 . . . . 26.17 111.012 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.6 153.08 44.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.707 0.289 . . . . 24.91 110.685 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.14 80.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.214 -0.448 . . . . 23.32 110.879 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -118.05 144.12 45.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.29 -0.414 . . . . 22.02 110.497 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.76 66.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.213 -0.449 . . . . 21.55 110.621 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.36 152.51 10.58 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.192 -0.458 . . . . 19.56 110.621 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -122.05 134.47 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.169 -0.469 . . . . 18.31 110.034 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -70.23 100.16 1.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.269 -0.423 . . . . 14.96 110.579 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -129.1 134.53 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.176 -0.465 . . . . 15.09 110.12 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.31 -165.57 45.0 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.933 -0.867 . . . . 12.02 110.933 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.01 -49.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.987 -0.845 . . . . 9.91 110.987 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.65 29.95 5.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.678 0.275 . . . . 14.61 111.019 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.48 85.19 0.73 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.932 -0.867 . . . . 7.59 110.932 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.92 145.33 61.7 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.713 1.608 . . . . 6.39 112.058 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.72 46.77 1.02 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.088 0.471 . . . . 8.83 110.499 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t 59.77 176.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.022 -0.535 . . . . 3.57 110.953 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -166.14 83.42 0.3 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 2.68 110.608 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -146.4 -62.56 0.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.049 -0.523 . . . . 1.21 110.438 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.99 -59.26 7.88 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.155 -0.475 . . . . 1.15 110.879 177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.53 -22.96 62.28 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 121.566 1.511 . . . . 0.5 112.637 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.6 -48.84 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 1.08 110.222 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 1.05 110.783 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.33 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 1.04 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 1.04 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 1.04 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.58 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 3.52 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 1.05 110.29 170.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.57 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.74 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.94 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 1.14 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 1.07 110.754 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.64 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.72 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.108 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 1.09 110.298 178.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.36 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.76 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 1.05 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 1.04 110.164 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 1.33 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.55 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 1.06 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 1.08 111.015 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.55 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.9 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 1.26 111.405 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.62 110.384 176.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 1.1 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 1.05 110.512 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 1.04 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 1.11 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.75 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 1.66 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 1.06 110.927 -176.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.66 110.694 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.54 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.76 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.601 -175.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 1.03 110.587 -177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 1.41 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 1.03 110.389 177.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.44 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 1.07 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.42 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.24 111.0 -174.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.21 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.19 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 1.05 110.798 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.85 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.15 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.12 110.735 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 1.04 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 1.06 110.86 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 1.01 110.207 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.976 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 1.07 111.647 -172.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 1.23 110.543 -176.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 1.02 109.906 173.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 1.02 110.141 177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.62 111.315 -178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 1.03 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 1.04 111.172 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 1.04 110.212 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 1.05 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 1.0 111.312 -176.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.9 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.78 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.8 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.99 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.55 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.79 110.364 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.74 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 2.19 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.26 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 1.04 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.63 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 1.01 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.57 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 2.13 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 1.04 110.388 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.84 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 1.01 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 1.02 110.663 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.59 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 1.08 110.537 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 1.09 111.222 -174.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.74 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 1.08 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.02 -2.42 46.87 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 1.45 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.26 -36.45 74.46 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.625 0.25 . . . . 1.37 110.577 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.62 110.968 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.388 -0.597 . . . . 33.32 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.2 81.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.163 -0.471 . . . . 32.95 110.756 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -145.25 160.95 40.69 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.282 -0.417 . . . . 32.91 110.547 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 8.6 tpt -65.71 -35.5 80.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.17 -0.468 . . . . 34.62 110.846 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -73.3 140.4 46.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.278 -0.419 . . . . 31.78 110.476 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.28 -178.25 51.69 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 30.32 110.955 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.65 135.71 0.4 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.85 -0.9 . . . . 29.48 110.85 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -93.08 117.54 30.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.644 0.259 . . . . 29.64 110.551 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -149.27 163.17 38.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.211 -0.449 . . . . 29.59 110.677 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -128.28 151.64 49.06 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.222 -0.445 . . . . 27.4 110.44 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.33 106.83 3.45 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 26.44 110.987 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -65.6 -35.09 79.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.604 0.24 . . . . 28.06 110.765 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.44 179.2 41.02 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.957 -0.857 . . . . 25.52 110.957 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -122.7 152.0 40.99 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.692 0.282 . . . . 25.43 110.54 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.77 -35.49 80.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.24 -0.437 . . . . 26.24 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.44 114.67 1.33 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.937 -0.865 . . . . 24.22 110.937 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.31 78.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.604 0.24 . . . . 23.94 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 148.05 51.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.259 -0.428 . . . . 22.53 110.752 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.5 p -69.55 165.71 20.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.246 -0.434 . . . . 21.61 110.607 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.26 158.47 38.96 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.224 -0.444 . . . . 20.3 110.508 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.5 52.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.129 -0.487 . . . . 19.72 110.687 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.3 m -68.42 143.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.205 -0.452 . . . . 18.44 110.647 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -110.32 148.52 31.78 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.095 -0.502 . . . . 17.42 110.516 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.32 155.01 34.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.294 -0.412 . . . . 16.64 110.657 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.88 -102.97 0.26 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.872 -0.891 . . . . 14.55 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.67 36.08 2.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.918 -0.873 . . . . 13.06 110.918 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -131.97 138.22 48.21 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.658 0.265 . . . . 12.81 110.504 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.02 159.46 27.42 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.898 -0.881 . . . . 8.77 110.898 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.75 -51.09 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.677 1.584 . . . . 8.12 112.044 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -150.2 -68.23 0.2 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.255 -0.43 . . . . 9.21 110.469 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -139.9 152.65 46.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.314 -0.403 . . . . 5.3 110.56 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -128.15 -67.84 0.79 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.312 -0.404 . . . . 4.36 110.526 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.7 m 57.54 94.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.37 -0.377 . . . . 2.02 111.161 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -175.38 -59.92 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.263 -0.426 . . . . 1.2 110.825 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -58.24 -23.24 61.21 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 121.614 1.543 . . . . 0.5 112.585 -179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.36 -48.84 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 1.12 110.212 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 1.05 110.754 178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.51 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 1.06 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 1.05 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 1.02 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.6 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 3.52 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 1.06 110.16 170.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.65 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.65 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.94 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 1.13 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 1.13 110.734 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.41 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.55 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 2.28 111.044 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 1.05 110.307 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.53 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.57 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 1.07 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.169 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 1.24 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.69 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 1.07 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 1.07 110.964 -175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.42 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.92 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 1.18 111.333 -176.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.62 110.373 176.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 1.1 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 1.02 110.553 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 1.09 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 1.07 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.68 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 1.65 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.955 -176.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.7 110.738 -177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.53 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.69 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 1.1 110.619 -175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 1.01 110.659 -177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.41 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 1.41 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 1.07 110.369 177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.46 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 1.06 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.7 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.24 110.854 -173.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.21 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.19 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 1.1 110.876 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.84 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.15 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.12 110.735 -179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 1.04 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 1.04 110.793 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 1.03 110.107 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 1.02 110.906 -179.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 1.09 111.458 -172.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 1.19 110.99 -176.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 1.05 109.776 173.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 1.02 109.925 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.74 111.258 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 1.01 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 1.01 110.977 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 1.03 110.194 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.39 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 1.04 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 1.05 111.313 -176.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.91 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.63 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.85 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 1.02 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.55 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.9 110.322 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.74 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 2.19 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.26 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 1.05 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.86 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 1.05 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.57 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 2.13 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 1.05 110.376 173.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.85 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 1.04 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 1.06 110.648 -177.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.78 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 1.08 110.538 178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 1.05 111.147 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.74 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 1.05 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.1 mp -96.01 -2.47 46.81 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 1.48 112.262 -174.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.31 -36.19 74.15 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 121.034 -0.266 . . . . 1.5 110.587 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.992 -1.449 . . . . 2.35 111.027 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 36.74 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.49 144.03 29.05 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.254 -0.43 . . . . 37.41 110.532 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -118.58 142.16 47.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.184 -0.462 . . . . 36.33 110.494 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mtp -104.63 147.02 28.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.455 . . . . 36.37 110.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -121.26 137.84 54.5 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.162 -0.472 . . . . 35.49 110.391 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.11 -49.62 0.03 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.923 -0.871 . . . . 34.94 110.923 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 -136.37 2.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.973 -0.851 . . . . 34.75 110.973 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.6 -36.12 83.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.721 0.296 . . . . 34.86 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.41 41.6 15.82 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.22 -0.445 . . . . 33.75 110.855 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.82 -35.87 82.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.133 -0.485 . . . . 32.3 110.86 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.45 145.59 5.33 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.973 -0.851 . . . . 30.92 110.973 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -65.5 -34.81 79.15 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.606 0.241 . . . . 31.23 110.96 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.81 36.48 15.73 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.949 -0.861 . . . . 29.29 110.949 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -64.12 -34.26 77.66 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.585 0.231 . . . . 28.02 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.8 mtp -77.28 144.73 37.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.263 -0.426 . . . . 28.11 110.565 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.58 51.56 0.04 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.884 -0.886 . . . . 26.17 110.884 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.77 78.75 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.621 0.248 . . . . 24.91 110.919 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.71 78.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.353 -0.385 . . . . 23.32 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -83.04 152.79 25.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.283 -0.417 . . . . 22.02 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.88 172.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.199 -0.455 . . . . 21.55 111.093 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.15 154.02 19.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.177 -0.465 . . . . 19.56 110.548 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 t 60.94 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.203 -0.453 . . . . 18.31 110.644 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.4 m -125.68 154.76 41.91 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 14.96 110.575 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.72 137.67 24.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.186 -0.461 . . . . 15.09 110.048 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.54 133.44 32.72 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.076 -0.81 . . . . 12.02 111.076 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.31 -67.54 0.93 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.951 -0.86 . . . . 9.91 110.951 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -100.85 29.9 4.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.617 0.246 . . . . 14.61 111.004 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.18 73.55 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.983 -0.847 . . . . 7.59 110.983 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.4 -169.97 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.789 1.66 . . . . 6.39 112.004 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.61 81.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.25 -0.432 . . . . 8.83 110.902 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t -68.46 154.2 42.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.919 -0.582 . . . . 3.57 110.664 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -105.14 51.84 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.128 0.49 . . . . 2.68 110.499 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -120.34 -53.35 2.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.02 -0.536 . . . . 1.21 110.58 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.424 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.81 -58.61 9.3 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 1.15 111.252 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -55.44 -21.39 29.9 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 121.504 1.469 . . . . 0.5 112.696 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.16 -47.29 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 1.08 110.182 176.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 1.05 110.755 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.33 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 1.04 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 1.04 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 1.04 110.81 177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.58 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 3.52 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 1.05 110.525 171.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.57 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.74 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.94 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 1.14 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.724 -179.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.64 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 2.28 110.986 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 1.09 110.065 177.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.36 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.76 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 1.05 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 1.04 110.212 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 1.33 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.55 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 1.06 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 1.08 111.004 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.55 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.9 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 1.26 111.5 -174.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.62 110.879 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 1.1 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 1.05 110.673 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.04 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 1.11 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.75 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 1.66 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 1.06 110.871 -176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.66 110.676 -177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.54 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.76 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.575 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 1.03 110.493 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.42 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 1.41 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 1.03 110.402 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.44 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 1.07 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.42 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.24 110.816 -174.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.21 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.19 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 1.05 110.783 -176.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.85 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.15 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.12 110.732 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 1.04 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 1.06 110.792 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 1.01 109.982 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.832 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 1.07 111.826 -172.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 1.23 110.852 -176.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 1.02 109.899 173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 1.02 110.031 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.62 111.315 -178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 1.03 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 1.04 111.064 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 1.04 110.324 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.24 110.963 179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 1.05 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.9 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.78 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.8 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.99 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.55 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.79 110.45 -177.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.74 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 2.19 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.26 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 1.04 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.63 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 1.01 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.57 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 2.13 111.03 178.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 1.04 110.308 173.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.84 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 1.01 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 1.02 110.719 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.59 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 1.08 110.438 178.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 1.09 110.974 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.74 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 1.08 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -95.4 -8.29 35.99 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 1.45 111.925 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.94 -36.41 67.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.622 0.249 . . . . 1.37 110.543 177.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.928 -1.485 . . . . 2.62 110.852 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 33.32 109.38 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.33 79.78 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.175 -0.466 . . . . 32.95 110.828 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -64.43 -36.76 85.21 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.277 -0.419 . . . . 32.91 110.921 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.29 123.62 42.48 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.168 -0.469 . . . . 34.62 110.544 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.96 -38.61 82.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.202 -0.453 . . . . 31.78 110.579 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.73 -127.2 5.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.025 -0.83 . . . . 30.32 111.025 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.75 34.88 29.9 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 29.48 111.025 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -65.68 -36.96 85.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.614 0.245 . . . . 29.64 110.689 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -107.83 151.47 25.7 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.172 -0.467 . . . . 29.59 110.525 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt -64.75 -36.17 83.44 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.213 -0.449 . . . . 27.4 110.88 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.56 -113.52 0.57 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 26.44 110.897 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -120.46 147.62 44.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.642 0.258 . . . . 28.06 110.539 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.45 -141.46 4.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.99 -0.844 . . . . 25.52 110.99 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 59.87 95.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.659 0.266 . . . . 25.43 111.008 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.8 mtt -98.8 145.46 26.93 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.213 -0.449 . . . . 26.24 110.598 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.22 38.45 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.867 -0.893 . . . . 24.22 110.867 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.54 149.76 32.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.669 0.271 . . . . 23.94 110.668 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.24 155.45 35.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.12 -0.491 . . . . 22.53 110.376 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.7 m -118.68 129.44 55.29 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.29 -0.414 . . . . 21.61 110.609 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . 55.53 23.52 6.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.127 -0.488 . . . . 20.3 111.758 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.824 0.345 . . . . 19.72 111.274 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.1 t -112.7 137.64 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.27 -0.423 . . . . 18.44 110.255 -177.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -117.63 149.05 41.33 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.136 -0.484 . . . . 17.42 110.386 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -129.24 158.2 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.219 -0.446 . . . . 16.64 110.687 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.97 -177.53 40.37 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.913 -0.875 . . . . 14.55 110.913 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.02 -49.46 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.912 -0.875 . . . . 13.06 110.912 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -115.43 143.48 45.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.602 0.239 . . . . 12.81 110.506 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.59 -80.5 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.053 -0.819 . . . . 8.77 111.053 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.8 133.17 54.41 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.892 1.728 . . . . 8.12 112.343 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -137.27 33.27 2.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.197 -0.456 . . . . 9.21 110.712 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -64.64 -35.42 80.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 5.3 111.005 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -112.59 154.25 26.3 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.277 -0.419 . . . . 4.36 110.623 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -79.48 154.28 29.0 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.251 -0.431 . . . . 2.02 110.551 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.402 ' N ' ' HD2' ' B' ' 35' ' ' PRO . . . -175.72 -58.87 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.236 -0.438 . . . . 1.2 111.073 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 12.2 Cg_endo -55.49 -21.52 30.82 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.586 1.524 . . . . 0.5 112.609 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.03 -47.17 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 1.12 110.21 176.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 1.05 110.644 178.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.51 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 1.06 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 1.02 110.607 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.6 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 3.52 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 1.06 110.335 171.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.65 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.65 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.94 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 1.13 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 1.13 110.791 -179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.41 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.55 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 2.28 110.979 178.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 1.05 110.033 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.53 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.57 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 1.07 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 1.0 110.159 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.69 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 1.07 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 1.07 110.876 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.42 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.92 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 1.18 111.46 -174.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.709 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 1.1 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 1.02 110.775 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 1.09 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 1.07 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.68 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 1.65 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 1.04 110.849 -176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.7 110.698 -177.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.53 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.69 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 1.1 110.606 -176.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 1.01 110.512 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.41 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 1.41 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 1.07 110.388 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.46 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 1.06 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.7 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.24 110.746 -174.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.21 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.19 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 1.1 110.893 -176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.84 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.15 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.12 110.723 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 1.04 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 1.04 110.746 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 1.03 110.08 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 1.02 110.776 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 1.09 111.574 -172.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 1.19 111.004 -175.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 1.05 109.738 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 1.02 109.891 178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.74 111.225 -178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 1.01 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 1.01 110.913 178.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 1.03 110.311 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.39 110.917 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 1.04 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 1.05 111.266 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.91 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.63 110.872 -176.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.85 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 1.02 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.55 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.9 110.446 -177.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.74 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 2.19 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.26 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 1.05 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.86 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 1.05 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.57 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 2.13 110.839 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 1.05 110.283 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.85 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 1.04 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 1.06 110.603 -178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.78 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 1.08 110.506 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 1.05 111.119 -176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.74 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 1.05 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 34' ' ' ALA . 3.2 mm? -95.06 -8.85 35.48 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 1.48 111.877 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.56 -36.27 68.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.637 0.256 . . . . 1.5 110.629 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.957 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.406 -0.59 . . . . 36.74 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.09 142.66 54.41 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.23 -0.441 . . . . 37.41 110.702 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -156.93 -62.23 0.09 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.22 -0.446 . . . . 36.33 110.502 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.1 ttp -66.34 -37.75 86.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.117 -0.492 . . . . 36.37 110.635 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t -139.93 156.57 46.61 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.252 -0.431 . . . . 35.49 110.633 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.39 -69.22 1.04 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.992 -0.843 . . . . 34.94 110.992 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -174.79 50.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.035 -0.826 . . . . 34.75 111.035 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.84 156.78 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.635 0.255 . . . . 34.86 110.508 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.94 -35.5 80.89 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.207 -0.451 . . . . 33.75 110.973 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.6 mtt -93.68 134.15 36.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.235 -0.438 . . . . 32.3 110.528 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.46 177.35 51.73 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.768 -0.933 . . . . 30.92 110.768 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -158.24 153.16 25.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 31.23 110.677 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.42 -76.01 1.03 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.858 -0.897 . . . . 29.29 110.858 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.9 p -77.81 164.31 25.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.689 0.28 . . . . 28.02 110.565 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.65 -35.66 81.73 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.159 -0.473 . . . . 28.11 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.6 -152.6 35.74 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.893 -0.883 . . . . 26.17 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 143.19 55.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.657 0.265 . . . . 24.91 110.577 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.24 85.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 23.32 110.693 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -153.27 164.04 38.82 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.287 -0.415 . . . . 22.02 110.672 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.86 155.79 18.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.182 -0.463 . . . . 21.55 110.516 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.7 29.94 3.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.37 -0.377 . . . . 19.56 111.061 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -130.96 132.04 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.968 -0.382 . . . . 18.31 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -147.54 156.45 42.84 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.212 -0.449 . . . . 14.96 110.591 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.56 134.5 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.167 -0.47 . . . . 15.09 110.065 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.81 -175.47 49.35 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 12.02 110.942 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.15 50.84 6.05 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.973 -0.851 . . . . 9.91 110.973 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -147.08 74.82 1.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.062 0.458 . . . . 14.61 110.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 89.37 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.12 -0.792 . . . . 7.59 111.12 178.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.88 152.03 77.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.683 1.589 . . . . 6.39 111.907 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -147.66 74.83 1.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.21 -0.45 . . . . 8.83 110.503 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -119.41 126.56 51.66 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.044 -0.525 . . . . 3.57 110.48 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -173.69 85.88 0.05 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.234 -0.439 . . . . 2.68 110.51 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -158.87 -47.37 0.06 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.209 -0.451 . . . . 1.21 110.861 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -63.04 -59.18 13.09 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.342 -0.39 . . . . 1.15 111.269 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 14.0 Cg_endo -56.54 -23.48 48.35 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.542 1.495 . . . . 0.5 112.67 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 23.0 t -64.8 -48.85 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 1.08 110.167 177.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 1.05 110.759 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.33 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 1.04 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 1.04 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 1.04 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.58 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 3.52 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 1.05 110.541 171.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.57 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.74 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.94 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 1.07 110.761 -178.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.64 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.72 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 2.28 111.124 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 1.09 110.204 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.36 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.76 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 1.05 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 1.04 110.15 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 1.33 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.55 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 1.06 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 1.08 111.008 -175.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.55 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.9 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 1.26 111.613 -174.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.62 110.687 178.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 1.1 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 1.05 110.67 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 1.04 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 1.11 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.75 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 1.66 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 1.06 110.996 -176.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.66 110.7 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.54 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.76 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.616 -175.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 1.03 110.517 -177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.42 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 1.41 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 1.03 110.358 178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.44 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 1.07 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.42 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.24 110.997 -174.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.21 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.19 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 1.05 110.779 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.85 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.15 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.12 110.712 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 1.04 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 1.06 110.896 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 1.01 109.856 179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.752 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 1.07 111.832 -172.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 1.23 110.93 -175.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 1.02 109.938 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 1.02 110.062 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.62 111.306 -178.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 1.03 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 1.04 111.091 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 1.04 110.233 176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.24 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 1.05 110.434 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.386 -178.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.9 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.78 110.898 -176.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.8 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.99 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.55 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.79 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.74 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 2.19 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.26 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 1.04 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.63 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 1.01 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.57 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 2.13 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 1.04 110.465 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.84 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 1.01 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 1.02 110.698 -177.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.59 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 1.08 110.465 179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 1.09 111.158 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.74 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 1.08 111.441 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.7 mp -96.22 -8.25 33.48 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 1.45 112.197 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.15 69.44 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.113 -0.235 . . . . 1.37 110.546 177.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.96 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tmm? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.268 -0.641 . . . . 33.32 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.38 95.23 2.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.258 -0.428 . . . . 32.95 110.573 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -144.9 150.9 37.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.235 -0.439 . . . . 32.91 110.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -85.67 114.01 22.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.199 -0.455 . . . . 34.62 110.561 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m -68.0 -38.18 82.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 31.78 110.751 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.28 -170.9 47.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.171 -0.772 . . . . 30.32 111.171 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.89 157.05 27.43 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.02 -0.832 . . . . 29.48 111.02 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -96.72 113.28 24.82 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.627 0.251 . . . . 29.64 110.361 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -142.11 139.48 32.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.188 -0.46 . . . . 29.59 110.46 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -135.51 154.73 51.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.246 -0.434 . . . . 27.4 110.566 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.81 175.24 44.84 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.979 -0.849 . . . . 26.44 110.979 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -139.96 152.83 46.65 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.685 0.278 . . . . 28.06 110.592 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.02 -58.86 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.877 . . . . 25.52 110.906 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -65.14 -36.19 83.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.645 0.259 . . . . 25.43 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.81 -36.39 83.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.247 -0.433 . . . . 26.24 110.855 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.34 126.87 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.02 -0.832 . . . . 24.22 111.02 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.43 155.1 39.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.597 0.237 . . . . 23.94 110.517 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.56 34.87 0.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.248 -0.433 . . . . 22.53 110.757 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.0 t -127.48 140.87 51.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.277 -0.42 . . . . 21.61 110.538 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.22 49.56 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.231 -0.44 . . . . 20.3 110.526 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.98 124.84 28.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.228 -0.442 . . . . 19.72 110.571 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.23 138.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.197 -0.456 . . . . 18.44 110.088 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -108.43 147.36 31.74 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 17.42 110.56 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.94 -39.68 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.185 -0.462 . . . . 16.64 110.269 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.53 -178.6 52.05 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.015 -0.834 . . . . 14.55 111.015 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 154.05 141.46 3.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.977 -0.849 . . . . 13.06 110.977 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -127.27 137.14 52.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.574 0.226 . . . . 12.81 110.446 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.48 -168.12 12.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 8.77 111.057 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.98 -29.53 81.98 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 121.771 1.647 . . . . 8.12 112.17 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 62.8 154.8 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.469 -0.332 . . . . 9.21 110.903 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m 60.46 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.253 -0.43 . . . . 5.3 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -129.27 161.42 30.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.103 -0.499 . . . . 4.36 110.396 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -66.56 121.36 15.17 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 2.02 110.68 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -179.5 -59.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.155 -0.475 . . . . 1.2 110.982 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_endo -56.19 -23.57 45.78 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.627 1.552 . . . . 0.5 112.618 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 23.3 t -64.82 -48.82 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 1.12 110.065 177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 1.05 110.68 178.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.51 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 1.06 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 1.05 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 1.02 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.6 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 3.52 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 1.06 110.332 171.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.65 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.65 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.94 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 1.13 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 1.13 110.826 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.41 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.55 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 2.28 110.96 179.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 1.05 110.167 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.53 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.57 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 1.07 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.298 178.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 1.24 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.69 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 1.07 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 1.07 110.904 -175.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.42 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.92 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 1.18 111.541 -174.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.62 110.566 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 1.1 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 1.02 110.662 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 1.09 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 1.07 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.68 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 1.65 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 1.04 110.986 -176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.7 110.715 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.53 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.69 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 1.1 110.655 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 1.01 110.597 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.41 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 1.41 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 1.07 110.407 178.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.46 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 1.06 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.7 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.24 110.869 -174.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.21 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.19 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 1.1 110.839 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.84 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.15 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.12 110.62 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 1.04 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 1.04 110.737 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 1.03 109.871 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 1.02 110.76 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 1.09 111.635 -172.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 1.19 110.958 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 1.05 109.778 174.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 1.02 109.953 178.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.74 111.203 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 1.01 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 1.01 110.942 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 1.03 110.19 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.39 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 1.04 110.39 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 1.05 111.274 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.91 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.63 111.002 -176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.85 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 1.02 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.55 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.9 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.74 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 2.19 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.26 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 1.05 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.86 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 1.05 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.57 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 2.13 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 1.05 110.327 173.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.85 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 1.04 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 1.06 110.646 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.78 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 1.08 110.44 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 1.05 111.139 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.74 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 1.05 111.381 -173.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 6.7 mp -95.97 -8.8 32.79 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 1.48 112.143 -174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -71.59 -36.05 70.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.646 0.26 . . . . 1.5 110.656 177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.98 -1.456 . . . . 2.35 110.851 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.562 . . . . 36.74 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 144.13 27.4 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.207 -0.451 . . . . 37.41 110.469 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.62 149.69 41.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.124 -0.489 . . . . 36.33 110.611 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.9 mtp -116.95 165.15 13.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.232 -0.44 . . . . 36.37 110.472 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -129.02 155.02 46.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.252 -0.431 . . . . 35.49 110.611 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.0 -172.31 40.64 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.889 -0.884 . . . . 34.94 110.889 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.17 -115.21 1.98 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.813 -0.915 . . . . 34.75 110.813 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -64.33 -35.54 81.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.684 0.278 . . . . 34.86 110.815 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -69.44 148.26 49.81 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.226 -0.443 . . . . 33.75 110.552 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.6 mmt -121.44 157.74 29.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.224 -0.443 . . . . 32.3 110.565 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.95 -175.64 51.11 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.944 -0.862 . . . . 30.92 110.944 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 61.78 151.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.759 0.314 . . . . 31.23 111.153 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 141.58 15.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.941 -0.864 . . . . 29.29 110.941 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -145.82 159.49 43.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 28.02 110.572 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.7 mtm -114.79 140.6 48.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.212 -0.449 . . . . 28.11 110.454 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.92 -157.41 45.22 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.92 -0.872 . . . . 26.17 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.79 142.24 27.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.673 0.273 . . . . 24.91 110.497 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.43 154.58 42.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 23.32 110.572 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -124.61 143.42 50.72 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.218 -0.446 . . . . 22.02 110.493 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.05 83.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.219 -0.446 . . . . 21.55 110.712 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.73 140.52 38.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.266 -0.425 . . . . 19.56 110.565 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.61 130.62 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.197 -0.456 . . . . 18.31 110.121 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -154.51 139.01 16.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 14.96 110.546 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.7 130.92 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.272 -0.422 . . . . 15.09 110.133 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 82.51 0.12 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.091 -0.804 . . . . 12.02 111.091 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.47 55.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.908 -0.877 . . . . 9.91 110.908 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -103.39 33.18 3.44 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 14.61 110.631 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 135.37 44.78 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 111.08 -0.808 . . . . 7.59 111.08 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.63 170.1 18.76 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.7 1.6 . . . . 6.39 112.23 -172.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 60.19 50.33 6.48 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.105 0.478 . . . . 8.83 111.083 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -56.12 -67.27 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.962 -0.563 . . . . 3.57 111.425 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -98.95 46.57 0.98 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.176 0.512 . . . . 2.68 110.454 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -143.54 -48.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.848 -0.615 . . . . 1.21 110.553 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.453 ' HB2' HD13 ' B' ' 138' ' ' LEU . . . -61.9 -58.32 18.66 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.269 -0.423 . . . . 1.15 111.19 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -55.63 -21.22 30.56 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.547 1.498 . . . . 0.5 112.638 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.31 -48.02 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 1.08 110.213 176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 1.05 110.712 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.33 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 1.04 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 1.04 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 1.04 110.743 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.58 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 3.52 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 1.05 110.481 169.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.57 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.74 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.94 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 1.14 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 1.07 110.679 -179.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.64 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.72 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 2.28 111.079 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 1.09 110.215 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.36 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.76 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 1.05 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 1.04 110.17 178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 1.33 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.55 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 1.06 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 1.08 110.976 -175.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.55 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.9 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 1.26 111.482 -175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.62 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 1.1 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 1.05 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 1.04 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 1.11 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.75 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 1.66 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 1.06 110.868 -176.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.66 110.673 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.54 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.76 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.624 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 1.03 110.511 -177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.42 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 1.41 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 1.03 110.367 177.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.44 110.794 174.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.42 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.24 110.965 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.21 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.19 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 1.05 110.771 -177.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.85 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.15 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.12 110.638 179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 1.04 110.304 177.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.791 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 1.01 110.017 179.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.824 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 1.07 111.815 -172.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 1.23 110.921 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 1.02 109.845 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 1.02 110.001 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.62 111.338 -176.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 1.03 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 1.04 111.253 178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 175.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.24 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 1.05 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.9 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.78 111.124 -175.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.8 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.99 110.348 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.55 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.79 110.461 -177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.74 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 2.19 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.26 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 1.04 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.63 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 1.01 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.57 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 2.13 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 1.04 110.399 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.84 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 1.01 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 1.02 110.667 -177.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.59 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 1.08 110.592 178.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 1.09 110.994 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.74 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 1.08 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.401 HD13 ' HB1' ' B' ' 34' ' ' ALA . 3.3 mm? -94.67 -8.4 37.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 1.45 111.911 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.45 65.96 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.571 0.224 . . . . 1.37 110.529 177.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.926 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.389 -0.597 . . . . 33.32 109.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 140.93 32.88 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.216 -0.447 . . . . 32.95 110.49 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -131.13 139.47 49.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.175 -0.466 . . . . 32.91 110.56 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.88 -36.28 82.97 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.224 -0.444 . . . . 34.62 110.787 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.91 160.63 27.08 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.256 -0.429 . . . . 31.78 110.601 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.0 -127.14 24.42 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.013 -0.835 . . . . 30.32 111.013 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.42 173.24 44.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.935 -0.866 . . . . 29.48 110.935 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -65.96 -37.17 85.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.628 0.251 . . . . 29.64 110.801 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -133.78 157.04 46.89 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.217 -0.447 . . . . 29.59 110.576 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.21 -35.56 81.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.227 -0.442 . . . . 27.4 110.876 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.25 30.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.046 -0.821 . . . . 26.44 111.046 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -126.37 145.41 50.46 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.634 0.254 . . . . 28.06 110.423 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.71 24.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.087 -0.805 . . . . 25.52 111.087 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.2 t -145.97 -64.63 0.31 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.6 0.238 . . . . 25.43 110.608 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.253 -0.43 . . . . 26.24 110.755 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.79 -177.19 38.97 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 24.22 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.22 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.639 0.256 . . . . 23.94 110.668 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.83 140.58 48.82 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.174 -0.466 . . . . 22.53 110.505 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 m -66.64 -37.23 84.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.226 -0.443 . . . . 21.61 110.733 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.75 153.94 28.19 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.172 -0.467 . . . . 20.3 110.585 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.1 154.68 17.06 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.21 -0.45 . . . . 19.72 110.531 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.27 136.28 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.184 -0.462 . . . . 18.44 110.032 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.8 p -64.24 -41.93 96.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.321 -0.4 . . . . 17.42 110.966 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.1 154.19 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.285 -0.416 . . . . 16.64 110.621 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.86 33.61 6.28 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.059 -0.816 . . . . 14.55 111.059 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.82 175.85 48.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.863 -0.895 . . . . 13.06 110.863 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -123.82 29.85 6.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.669 0.271 . . . . 12.81 110.93 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.17 65.98 2.55 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.877 -0.889 . . . . 8.77 110.877 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.32 141.34 88.94 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.922 1.748 . . . . 8.12 112.295 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.69 130.75 45.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.186 -0.461 . . . . 9.21 110.561 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -124.99 151.29 45.72 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.14 -0.482 . . . . 5.3 110.438 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -64.8 -34.42 78.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.265 -0.425 . . . . 4.36 110.866 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 26.8 t -154.74 146.95 23.78 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.289 -0.414 . . . . 2.02 110.648 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.401 ' HB1' HD13 ' A' ' 138' ' ' LEU . . . -174.93 -58.71 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.248 -0.433 . . . . 1.2 111.087 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 11.9 Cg_endo -55.51 -21.34 30.22 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 121.658 1.572 . . . . 0.5 112.555 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.23 -48.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 1.12 110.201 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 1.05 110.677 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.51 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 1.06 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 1.05 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 1.02 110.677 177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.6 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 3.52 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 1.06 110.2 169.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.65 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.65 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.94 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 1.13 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 1.13 110.728 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.41 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.55 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 2.28 111.001 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 1.05 110.263 177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.53 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.57 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 1.07 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.258 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 1.24 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.69 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 1.07 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 1.07 110.984 -175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.42 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.92 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 1.18 111.442 -175.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.62 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 1.1 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 1.02 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 1.09 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 1.07 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.68 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 1.65 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 1.04 110.869 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.7 110.636 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.53 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.69 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 1.1 110.613 -176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 1.01 110.592 -177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.41 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 1.41 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 1.07 110.365 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.46 110.636 174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 1.06 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.7 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.24 110.894 -174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.21 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.19 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 1.1 110.877 -177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.84 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.15 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.12 110.604 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 1.04 110.193 177.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 1.04 110.703 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 1.03 109.994 179.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 1.02 110.752 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 1.09 111.687 -173.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 1.19 111.05 -175.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 1.05 109.721 174.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 1.02 109.825 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.74 111.285 -176.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 1.01 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 1.01 111.076 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 1.03 110.138 175.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.39 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 1.04 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 1.05 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.91 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.63 111.147 -175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.85 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 1.02 110.344 -176.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.55 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.9 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.74 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 2.19 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.26 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 1.05 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.86 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 1.05 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.57 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 2.13 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 1.05 110.324 174.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.85 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 1.04 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 1.06 110.603 -177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.78 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 1.08 110.402 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 1.05 111.018 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.74 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 1.05 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . 0.453 HD13 ' HB2' ' A' ' 34' ' ' ALA . 3.3 mm? -94.3 -9.02 37.33 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 1.48 111.812 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.98 -36.28 67.05 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.157 -0.217 . . . . 1.5 110.609 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.033 -1.426 . . . . 2.35 110.903 -179.947 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 36.74 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.92 87.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.22 -0.446 . . . . 37.41 110.667 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -150.05 150.8 32.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.246 -0.434 . . . . 36.33 110.62 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.4 mtt -68.37 -39.43 81.77 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.271 -0.422 . . . . 36.37 110.67 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.89 -36.99 81.21 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.196 -0.456 . . . . 35.49 110.611 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.77 35.67 24.47 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.942 -0.863 . . . . 34.94 110.942 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.75 139.62 2.8 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 34.75 110.954 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -114.35 154.4 28.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.648 0.261 . . . . 34.86 110.563 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -94.14 118.46 31.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.227 -0.442 . . . . 33.75 110.385 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.4 ttm -68.84 -42.79 76.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.476 . . . . 32.3 110.813 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.63 168.82 28.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.052 -0.819 . . . . 30.92 111.052 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -146.27 160.59 41.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.613 0.244 . . . . 31.23 110.703 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.41 178.67 47.68 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.955 -0.858 . . . . 29.29 110.955 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -126.03 148.68 49.25 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.658 0.266 . . . . 28.02 110.51 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.2 ttp -89.46 123.75 33.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.179 -0.464 . . . . 28.11 110.351 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.94 -159.18 37.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 26.17 110.906 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.39 149.76 43.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.635 0.255 . . . . 24.91 110.568 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.48 33.01 4.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.236 -0.438 . . . . 23.32 110.818 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -128.83 94.0 3.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.345 -0.388 . . . . 22.02 110.613 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.02 26.27 11.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.181 -0.463 . . . . 21.55 111.622 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.49 101.44 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.627 -0.261 . . . . 19.56 111.187 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -117.94 131.32 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.263 -0.426 . . . . 18.31 110.099 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.1 p -169.11 102.58 0.37 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.224 -0.444 . . . . 14.96 110.661 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -125.21 130.32 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.165 -0.471 . . . . 15.09 110.111 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 -175.93 43.6 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.924 -0.87 . . . . 12.02 110.924 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.87 39.59 38.5 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.02 -0.832 . . . . 9.91 111.02 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -102.65 26.96 7.35 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.569 0.224 . . . . 14.61 111.159 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 62.2 5.07 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.141 -0.784 . . . . 7.59 111.141 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.35 148.36 43.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.756 1.637 . . . . 6.39 112.027 -179.113 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 59.46 47.27 11.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.142 0.496 . . . . 8.83 111.036 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 t -138.88 143.13 38.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.945 -0.57 . . . . 3.57 110.532 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -137.65 43.36 2.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.188 0.518 . . . . 2.68 110.439 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -99.52 -33.14 10.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 1.21 110.832 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.403 ' N ' ' HD2' ' A' ' 35' ' ' PRO . . . -62.35 -59.15 13.73 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.246 -0.434 . . . . 1.15 111.428 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 27.4 Cg_endo -61.69 -24.18 77.3 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.391 1.394 . . . . 0.5 112.519 -169.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.49 -50.28 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 1.08 110.247 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 1.05 110.839 178.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.33 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 1.04 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 1.04 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 1.04 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.58 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 3.52 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 1.05 110.458 172.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.57 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.74 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.94 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 1.14 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 1.07 110.75 -178.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.64 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.72 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 2.28 111.032 178.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 1.09 110.01 176.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.36 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.76 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 1.05 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 1.04 110.063 177.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 1.33 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.55 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 1.06 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 1.08 110.934 -175.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.55 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.9 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 1.26 111.429 -176.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.62 110.443 176.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 1.1 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 1.05 110.448 179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 1.04 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 1.11 110.68 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.75 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 1.66 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 1.06 110.974 -176.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.66 110.776 -177.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.54 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.76 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.551 -175.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 1.03 110.545 -177.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.42 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.41 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 1.03 110.381 178.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.44 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 1.07 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.42 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.24 111.058 -175.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.21 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.19 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 1.05 110.72 -177.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.85 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.15 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.12 110.669 179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 1.04 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 1.06 110.944 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 1.01 110.136 178.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' HA ' ' CD2' ' A' ' 100' ' ' LEU . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.963 -179.056 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 1.07 111.685 -172.744 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 1.23 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 1.02 110.002 173.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 1.02 110.114 178.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.62 111.367 -178.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 1.03 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 1.04 111.161 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 1.04 110.248 176.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 1.0 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.9 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.78 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.8 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.99 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.55 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.79 110.349 -178.007 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.74 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 2.19 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.26 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 1.04 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.63 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 1.01 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.57 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 2.13 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 1.04 110.448 174.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.84 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 1.01 110.862 -179.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 1.02 110.66 -177.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.59 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 1.08 110.526 178.447 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 1.09 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.74 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 1.08 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 mp -98.24 -7.89 28.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 1.45 112.176 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.08 39.08 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.974 0.416 . . . . 1.37 110.666 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.822 179.599 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.384 -0.599 . . . . 33.32 109.384 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.64 138.99 53.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.243 -0.435 . . . . 32.95 110.594 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -67.36 -35.99 80.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.227 -0.442 . . . . 32.91 110.827 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.34 144.47 48.28 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.291 -0.413 . . . . 34.62 110.557 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.15 144.78 50.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.165 -0.47 . . . . 31.78 110.511 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.1 -135.78 23.14 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.009 -0.837 . . . . 30.32 111.009 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 57.05 2.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.959 -0.856 . . . . 29.48 110.959 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.13 -34.85 79.0 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.632 0.253 . . . . 29.64 110.968 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 61.3 46.16 8.07 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.05 0.452 . . . . 29.59 110.882 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.08 -37.42 87.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.059 -0.518 . . . . 27.4 110.859 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.43 -162.61 47.79 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.956 -0.858 . . . . 26.44 110.956 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -150.67 163.79 37.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.628 0.251 . . . . 28.06 110.679 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.37 171.56 51.72 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.958 -0.857 . . . . 25.52 110.958 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.9 m -66.43 -36.33 82.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 25.43 110.801 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp 59.98 167.08 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.333 -0.394 . . . . 26.24 111.111 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 113.16 3.99 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 24.22 110.905 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.82 81.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.604 0.24 . . . . 23.94 110.659 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.85 32.24 5.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.241 -0.436 . . . . 22.53 110.793 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -65.02 -36.45 84.44 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.403 -0.362 . . . . 21.61 110.834 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.75 102.87 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.286 -0.415 . . . . 20.3 111.089 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.36 -62.68 0.74 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.21 -0.45 . . . . 19.72 110.526 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.8 -39.08 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 18.44 110.156 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.4 p -144.02 164.78 29.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.2 -0.455 . . . . 17.42 110.517 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -103.83 131.64 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.271 -0.422 . . . . 16.64 110.12 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.43 -174.64 47.4 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.973 -0.851 . . . . 14.55 110.973 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.63 -71.25 1.27 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.891 -0.883 . . . . 13.06 110.891 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -115.16 136.8 52.73 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.642 0.258 . . . . 12.81 110.478 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.28 81.32 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 8.77 110.972 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.0 140.38 65.72 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.774 1.649 . . . . 8.12 111.95 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -137.42 163.76 30.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.15 -0.477 . . . . 9.21 110.603 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -69.51 153.48 43.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.252 -0.431 . . . . 5.3 110.462 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -68.24 136.48 53.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.213 -0.448 . . . . 4.36 110.725 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 95.2 p -170.68 -45.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.11 -0.495 . . . . 2.02 110.729 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.82 -60.15 1.65 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.3 -0.409 . . . . 1.2 111.229 -177.194 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.06 -24.4 79.36 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.542 1.495 . . . . 0.5 112.524 -169.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.47 -50.21 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 1.12 110.232 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 1.05 110.87 178.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.51 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 1.06 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 1.05 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 1.02 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.6 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 3.52 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 1.06 110.321 172.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.65 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.65 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.94 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 1.13 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 1.13 110.789 -178.969 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.41 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.55 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.027 178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 1.05 110.079 176.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.53 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.57 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 1.07 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.094 177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 1.24 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.69 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 1.07 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 1.07 110.982 -175.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.42 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.92 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 1.18 111.323 -176.701 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.62 110.415 176.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 1.1 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 1.02 110.547 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 1.09 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 1.07 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.68 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 1.65 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' THR . . . . . . . . . . . . . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 1.04 110.979 -175.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.7 110.79 -177.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.53 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.69 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 1.1 110.617 -175.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 1.01 110.579 -177.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.41 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 1.41 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 1.07 110.33 178.517 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.46 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 1.06 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.7 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.24 110.855 -174.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.21 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.19 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 1.1 110.843 -177.402 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.84 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.15 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' CYS . . . . . . . . . . . . . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.12 110.668 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 1.04 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 1.04 110.798 -179.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 1.03 110.197 178.776 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 1.02 110.987 -178.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 1.09 111.525 -173.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 1.19 111.012 -176.233 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 1.05 109.853 173.796 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 1.02 109.979 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' SER . . . . . . . . . . . . . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.74 111.226 -178.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 1.01 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 1.01 110.982 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 1.03 110.142 176.343 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 1.04 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 1.05 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.91 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.63 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.85 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 1.02 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.55 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.9 110.341 -178.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.74 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 2.19 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.26 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 1.05 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.86 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 1.05 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.57 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 2.13 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 1.05 110.376 174.057 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.85 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 1.04 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 1.06 110.608 -177.554 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.78 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 134' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 1.08 110.459 178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 1.05 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.74 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 1.05 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 10.4 mp -98.28 -7.89 28.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 1.48 112.153 -174.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.03 38.84 0.31 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.933 0.396 . . . . 1.5 110.59 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.104 -1.386 . . . . 2.35 110.956 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 0.32 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.986 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 0.21 110.732 177.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.34 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 0.31 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 0.22 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 0.2 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.24 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 0.44 110.4 169.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.29 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.21 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.44 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 0.16 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.15 110.749 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.665 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.19 111.128 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.684 HG11 ' OG1' ' B' ' 127' ' ' THR . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 0.15 110.044 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 0.7 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 0.15 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 0.18 110.214 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.23 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.29 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 0.25 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 0.21 110.96 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.1 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.27 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.22 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.34 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.746 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 0.7 111.64 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.1 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.09 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 0.29 110.81 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 0.38 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.25 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.28 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 0.32 110.941 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.04 110.655 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.29 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 0.16 110.625 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 0.16 110.508 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.16 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.06 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 0.18 110.443 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.21 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.23 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.2 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.577 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.25 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.25 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 86' ' ' ASN . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 0.22 110.883 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.16 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.14 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 0.14 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.6 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 0.15 110.986 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 0.12 110.279 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.22 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.1 110.953 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.544 HD22 ' CB ' ' B' ' 100' ' ' LEU . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 0.18 111.642 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 0.34 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 98' ' ' ALA . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 0.12 110.008 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' B' ' 103' ' ' VAL . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.09 109.867 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.33 111.306 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 0.15 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.57 ' HB2' HD13 ' B' ' 106' ' ' LEU . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 0.12 111.212 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 103' ' ' VAL . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 0.15 110.149 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.16 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.17 110.448 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 0.21 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.749 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.29 111.265 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.23 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.15 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.21 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 0.65 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 1.85 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.35 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 1.17 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 0.23 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.27 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 0.22 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.4 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 1.23 110.913 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.689 ' OG1' HG11 ' B' ' 53' ' ' VAL . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.23 110.449 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 1.62 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 0.23 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.15 110.699 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.15 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.25 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 0.18 110.498 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.2 111.136 -175.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.01 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 0.38 111.406 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 1.009 HD22 ' HB3' ' B' ' 37' ' ' ALA . 5.9 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.03 112.064 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 0.32 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 1.009 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 0.21 110.696 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 0.31 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 0.22 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 0.2 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.18 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.24 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 0.44 110.155 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.29 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.21 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.44 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 0.16 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.68 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 0.15 110.768 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.2 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.26 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.19 111.06 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.689 HG11 ' OG1' ' A' ' 127' ' ' THR . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.15 110.084 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.08 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 0.7 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.15 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.6 ' O ' HG23 ' B' ' 61' ' ' VAL . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 0.18 110.228 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.29 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 0.25 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 57' ' ' VAL . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 0.21 110.875 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.27 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.22 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.34 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.749 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 0.7 111.526 -173.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.1 110.738 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.09 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 0.29 110.835 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 0.29 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.38 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.25 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.28 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 0.32 110.925 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.04 110.748 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.29 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.2 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.72 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.16 110.601 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 0.16 110.613 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.16 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.06 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 0.18 110.435 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.21 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.23 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.2 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.25 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.25 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' B' ' 86' ' ' ASN . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 0.22 110.955 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.16 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.14 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.58 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 0.14 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 37' ' ' ALA . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.15 110.913 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 0.12 110.36 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.568 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.22 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.54 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 0.18 111.511 -172.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.544 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 0.35 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 98' ' ' ALA . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 0.12 109.811 174.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 103' ' ' VAL . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 0.09 109.75 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.724 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.33 111.285 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 0.15 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 106' ' ' LEU . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 0.12 111.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 0.15 110.121 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.16 110.75 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 0.17 110.379 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.746 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.29 111.234 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.23 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.15 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.22 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.65 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 1.85 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.14 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.35 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 0.23 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.27 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.4 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.684 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.23 110.326 173.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 1.62 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 0.23 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.16 110.589 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.15 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.25 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.752 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 0.18 110.48 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.08 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.01 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 0.38 111.277 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 37' ' ' ALA . 5.9 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.03 111.959 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 95' ' ' LEU . 24.7 t . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 0.31 110.245 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' B' ' 95' ' ' LEU . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 0.24 110.768 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.14 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 0.24 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 0.17 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.26 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 2.91 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 0.16 110.259 168.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.35 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.25 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.57 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.41 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.671 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.2 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.37 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.666 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 1.87 111.105 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 0.21 109.94 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.182 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 0.95 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.23 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.21 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 0.22 110.939 -176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.31 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.24 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.807 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 0.51 111.64 -174.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.56 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 0.75 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.18 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 0.98 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 0.29 110.891 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' VAL . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.645 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.25 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.39 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.23 110.7 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 0.16 110.459 -177.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.08 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 0.22 110.37 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.19 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 0.29 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.27 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.556 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.938 -174.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.19 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.21 110.696 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.14 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.685 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 0.18 110.915 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 0.13 110.024 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.1 111.005 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 0.23 111.714 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.48 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 0.13 109.888 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.091 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.746 ' HA ' HG21 ' B' ' 130' ' ' VAL . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.34 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 0.15 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.562 ' HB2' HD13 ' B' ' 106' ' ' LEU . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 0.11 111.188 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 0.12 110.207 176.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.14 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 0.16 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 0.16 111.346 -177.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.812 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.28 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.14 110.814 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.09 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.13 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.06 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.473 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.67 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.21 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 0.18 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.17 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.12 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.467 ' CG2' HG21 ' B' ' 53' ' ' VAL . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.624 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.64 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 0.44 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.67 -177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.24 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.758 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 0.23 110.5 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 0.27 111.292 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 0.36 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' CB ' ' B' ' 37' ' ' ALA . 10.5 mp . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 0.87 112.206 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 95' ' ' LEU . 24.6 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 0.32 110.309 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.853 ' HB2' HD11 ' A' ' 95' ' ' LEU . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 0.24 110.709 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.14 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 0.18 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.17 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.26 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 2.91 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 0.16 110.159 168.151 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.35 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.25 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.58 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 0.41 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 0.29 110.721 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.2 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.684 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 1.87 111.097 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 0.21 109.979 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.19 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.23 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 0.18 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.609 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 0.15 110.154 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 0.95 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.23 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 0.21 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.22 110.931 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.31 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.24 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.812 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 0.51 111.621 -174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 0.75 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 0.25 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.18 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 0.98 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.64 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.836 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' B' ' 79' ' ' VAL . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.7 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.25 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.39 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 0.23 110.668 -175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 0.16 110.548 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.08 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 0.93 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 0.22 110.397 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.19 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 0.29 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.27 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.581 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.23 110.829 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.19 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.18 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 0.21 110.875 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.19 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.14 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.11 110.725 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.18 110.864 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 0.13 110.043 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.584 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.1 110.976 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 0.23 111.503 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 0.48 110.989 -176.401 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 0.13 109.672 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 0.09 109.93 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' A' ' 130' ' ' VAL . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.27 111.307 -177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 0.15 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 106' ' ' LEU . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 0.11 111.08 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.14 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 0.16 110.469 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.449 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 0.16 111.289 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.807 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.28 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.449 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.14 110.831 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.09 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.21 110.469 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.67 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 1.26 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.21 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 0.18 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.17 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 0.19 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.12 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 1.22 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 53' ' ' VAL . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.478 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 0.44 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.539 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.44 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 0.24 110.445 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 0.27 111.115 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.28 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 0.36 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.629 HD22 ' CB ' ' A' ' 37' ' ' ALA . 10.6 mp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 0.87 112.125 -175.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 95' ' ' LEU . 25.4 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 0.31 110.058 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 0.24 110.807 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.14 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 0.24 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 0.18 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 0.17 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.26 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 2.91 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 127' ' ' THR . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 0.16 110.601 172.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.35 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.25 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.57 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 0.41 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 0.29 110.75 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.2 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.093 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 0.21 109.919 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.19 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.18 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.15 110.17 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 0.95 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.23 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD23 ' A' ' 71' ' ' LEU . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 0.21 111.037 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.22 110.997 -175.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.31 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.24 110.956 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 0.51 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.56 110.875 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 0.75 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.19 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 0.21 110.776 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 60' ' ' LEU . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 0.25 110.811 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.18 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 0.29 110.792 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.01 110.643 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.25 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.39 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 0.23 110.642 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 0.16 110.508 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.08 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 0.93 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 0.22 110.398 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.19 110.836 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.29 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.27 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.598 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.23 110.962 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.19 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 0.21 110.762 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.19 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.566 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.11 110.653 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 0.15 110.363 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' B' ' 37' ' ' ALA . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.884 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 0.13 110.071 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB3' HG11 ' A' ' 82' ' ' VAL . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.1 111.021 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 0.23 111.732 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 0.48 110.525 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 0.13 109.922 173.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' B' ' 103' ' ' VAL . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 0.09 109.985 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.74 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.27 111.408 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 0.15 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 0.11 111.277 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 103' ' ' VAL . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 0.12 110.194 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.14 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.16 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' B' ' 106' ' ' LEU . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.356 -176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.28 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.14 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.09 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.13 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.06 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.21 110.394 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.67 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 1.26 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 0.18 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.17 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 1.22 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.464 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 0.21 110.461 174.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.64 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 0.44 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.716 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.16 110.791 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.428 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.24 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 0.23 110.39 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 0.27 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.28 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 0.36 111.409 -173.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.9 mp . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 0.87 112.108 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 95' ' ' LEU . 25.0 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 0.32 110.104 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.731 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 0.24 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 0.17 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.26 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 2.91 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 127' ' ' THR . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 0.16 110.41 172.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.35 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.25 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.58 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 0.41 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.848 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.2 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.37 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 1.87 111.022 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 0.21 109.951 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 0.15 110.26 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.23 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 HD23 ' B' ' 71' ' ' LEU . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.998 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 0.22 110.943 -175.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.31 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' SER . . . . . 0.451 ' HB3' ' HB2' ' B' ' 70' ' ' ALA . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.24 110.925 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 0.51 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' B' ' 70' ' ' ALA . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.56 110.674 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 0.75 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 0.19 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 67' ' ' ASN . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 0.21 110.776 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.494 HD23 HD21 ' B' ' 60' ' ' LEU . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 0.25 110.757 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.18 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.98 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.29 110.783 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.657 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.01 110.708 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.25 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.39 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 0.23 110.619 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 0.16 110.571 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.08 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 0.93 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 0.22 110.398 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.654 174.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 0.29 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.27 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.613 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.894 -174.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.19 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.18 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.21 110.865 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.19 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.11 110.666 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 0.15 110.312 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.18 110.716 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.13 110.071 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.1 110.878 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 0.23 111.519 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 0.48 110.979 -176.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 0.13 109.821 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 103' ' ' VAL . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 0.09 109.882 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.716 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.27 111.369 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 0.15 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 106' ' ' LEU . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.11 111.121 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 0.12 110.149 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.14 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 0.16 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 106' ' ' LEU . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 0.16 111.368 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.28 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.14 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.09 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.13 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.06 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.529 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.21 110.407 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 1.26 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.21 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 0.18 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.17 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 0.19 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.12 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 1.22 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.452 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 0.21 110.361 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.64 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' MET . . . . . 0.407 ' HE2' ' HB3' ' B' ' 129' ' ' MET . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 0.44 110.906 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 104' ' ' SER . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 0.16 110.692 -176.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.765 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 0.24 110.374 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 0.27 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.498 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.258 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 138' ' ' LEU . 6.9 mp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 0.87 112.036 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 95' ' ' LEU . 40.6 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 0.31 110.015 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 0.24 110.745 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.14 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 0.24 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 0.18 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 0.17 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.26 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 2.91 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 167.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.35 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.25 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.57 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 0.29 110.755 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.2 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.37 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 1.87 111.152 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 0.21 109.963 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.19 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.18 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 0.15 110.18 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 0.95 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.23 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 0.21 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 0.22 110.974 -175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.31 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.24 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.767 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 0.51 111.463 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.56 110.671 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 0.75 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.19 110.825 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 0.21 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 0.25 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.98 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 0.29 110.835 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 79' ' ' VAL . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.01 110.7 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.25 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.39 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 0.23 110.681 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 75' ' ' ILE . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 0.16 110.448 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.08 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 0.93 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 0.22 110.408 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.19 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.27 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.23 111.002 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.19 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.18 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 86' ' ' ASN . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 0.21 110.726 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.19 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.14 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.584 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 0.18 110.969 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' CYS . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 0.13 110.177 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.532 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 0.1 110.99 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' B' ' 100' ' ' LEU . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 0.23 111.667 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 0.48 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 0.13 109.947 173.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 103' ' ' VAL . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.951 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.729 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.27 111.379 -177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.15 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 0.11 111.161 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 103' ' ' VAL . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 0.12 110.193 176.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.14 110.843 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 0.16 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 0.16 111.39 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.783 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.28 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.14 110.797 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.09 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.13 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.06 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.389 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.67 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 1.26 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.21 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 0.18 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.17 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 0.19 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.12 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.21 110.387 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 0.44 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.669 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.24 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.795 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 0.23 110.494 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 0.27 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.28 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.318 -173.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.1 mp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 0.87 112.059 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.492 HG12 HD22 ' A' ' 95' ' ' LEU . 40.1 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 0.32 110.145 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.795 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.597 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 0.18 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 0.17 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.26 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 2.91 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 0.16 110.145 167.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.35 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.25 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.58 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 0.41 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 0.29 110.846 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.2 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 1.87 111.002 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 0.21 109.967 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.19 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.641 ' O ' HG23 ' B' ' 61' ' ' VAL . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 0.15 110.252 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 0.95 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.23 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.21 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 57' ' ' VAL . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.89 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.31 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.24 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.783 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.51 111.494 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.56 110.598 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 0.75 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 0.19 110.787 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 0.21 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 0.25 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.18 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.769 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.664 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.01 110.715 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.25 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.39 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.23 110.663 -176.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 0.16 110.555 -177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.08 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 0.93 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 0.22 110.355 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.19 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 0.29 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.27 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.566 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.23 110.863 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.19 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 86' ' ' ASN . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 0.21 110.815 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.19 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.14 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.525 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.11 110.645 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 0.18 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 92' ' ' CYS . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 0.13 110.153 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.516 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 0.1 110.939 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 0.23 111.531 -173.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 0.48 110.962 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' B' ' 44' ' ' LEU . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 0.13 109.822 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 0.09 109.833 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.721 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.27 111.294 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 0.15 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 0.11 110.964 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 0.12 110.183 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.14 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 0.16 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.16 111.306 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.767 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.28 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.14 110.882 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.09 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.06 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.511 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.21 110.449 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.67 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 1.26 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.21 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 0.18 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.17 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 0.19 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.12 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 1.22 110.805 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.557 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 0.21 110.329 173.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.64 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 0.44 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 0.16 110.618 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.24 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.769 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.441 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 0.27 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.28 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.333 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.1 mp . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 0.87 112.044 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.672 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t . . . . . 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 0.31 110.011 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.24 110.99 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.14 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.24 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 0.17 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.26 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 2.91 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 0.16 110.388 168.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.35 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.25 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.57 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 0.41 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 0.29 110.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.2 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.37 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' A' ' 82' ' ' VAL . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 1.87 110.903 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 49' ' ' ALA . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 0.21 109.992 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.19 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.23 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.202 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 0.95 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.23 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.21 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 0.22 110.963 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.31 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.73 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 0.51 111.698 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.56 110.618 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 0.75 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 0.19 110.771 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 0.21 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 0.25 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.18 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 0.98 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 0.29 110.958 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.01 110.73 -176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.25 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.39 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 0.23 110.734 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 0.16 110.388 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.08 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 0.22 110.383 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.19 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 0.29 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.27 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.667 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.23 111.063 -175.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.19 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.18 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ASN . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 0.21 110.791 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.19 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.14 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.63 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.11 110.637 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.556 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 0.15 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD22 HG12 ' B' ' 36' ' ' VAL . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.955 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 0.13 110.139 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 0.1 110.952 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' B' ' 100' ' ' LEU . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 0.23 111.719 -172.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.519 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 0.48 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 0.13 109.945 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 0.09 109.986 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.688 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.27 111.227 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 0.15 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.539 HD11 HG13 ' B' ' 103' ' ' VAL . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.11 111.193 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 0.12 110.11 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.14 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' HD22 ' B' ' 106' ' ' LEU . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 0.16 111.267 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.28 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.14 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.09 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.13 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.06 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.67 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 1.26 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.21 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 0.18 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.17 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 0.19 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 1.22 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.6 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 0.21 110.367 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.64 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 0.44 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 0.16 110.764 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.24 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' B' ' 37' ' ' ALA . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 0.23 110.433 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 0.27 111.097 -175.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.28 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.419 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.449 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.5 mp . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 0.87 112.18 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.66 HG12 HD22 ' A' ' 95' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 0.32 110.103 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.24 110.843 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.14 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 0.24 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 0.18 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 2.91 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 0.16 110.239 168.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.35 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.25 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.58 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 0.41 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 0.29 110.748 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.2 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.37 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' B' ' 82' ' ' VAL . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.949 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 49' ' ' ALA . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 0.21 109.984 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 0.18 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 0.15 110.282 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 0.21 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 0.22 110.87 -176.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.24 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 0.51 111.604 -174.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.44 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.56 110.604 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 0.75 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 0.19 110.761 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 0.21 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 0.25 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.18 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 0.29 110.919 -176.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.656 ' O ' HG23 ' B' ' 79' ' ' VAL . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.01 110.735 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.25 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.39 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.762 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.23 110.78 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 0.16 110.449 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.08 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 0.93 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 0.22 110.431 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.19 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 0.29 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.27 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.697 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.845 -174.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.19 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' B' ' 86' ' ' ASN . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 0.21 110.889 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.19 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.14 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.638 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.11 110.646 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.545 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 0.15 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 36' ' ' VAL . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 0.18 110.891 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.216 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.883 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 100' ' ' LEU . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 0.23 111.505 -172.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.52 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 0.48 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 0.13 109.857 172.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 0.09 109.925 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.27 111.157 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 0.15 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 103' ' ' VAL . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.11 111.021 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 103' ' ' VAL . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 0.12 110.176 175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.14 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 0.16 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 0.16 111.154 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.73 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.28 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.14 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.09 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 0.13 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.06 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.21 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.67 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 1.26 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.21 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 0.18 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.17 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 0.19 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.12 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 1.22 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.573 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.329 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.64 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 0.44 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.688 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 0.16 110.588 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.412 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' SER . . . . . 0.418 ' HB2' HD12 ' B' ' 75' ' ' ILE . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.24 111.047 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 0.24 110.368 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 0.27 111.058 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 0.36 111.402 -173.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 0.87 112.051 -175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 0.31 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.817 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.14 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 0.24 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.26 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 2.91 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 0.16 110.319 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.35 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.25 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.57 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 0.29 110.727 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.2 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.37 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 1.87 111.174 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 0.21 109.991 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.19 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.23 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 0.18 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 0.15 110.104 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 0.95 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.23 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 0.21 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 57' ' ' VAL . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 0.22 110.922 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.989 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' B' ' 111' ' ' GLY . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 0.51 111.489 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.56 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 0.75 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 0.19 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 0.21 110.881 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 0.25 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 0.98 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 0.29 110.893 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.01 110.705 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.452 ' OG ' ' HB1' ' A' ' 137' ' ' ALA . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.25 110.885 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.39 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.23 110.654 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 0.16 110.503 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.93 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.19 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.23 110.972 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.19 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.18 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.21 110.734 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.19 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.14 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.11 110.687 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.15 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.18 110.909 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' CYS . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 0.13 110.072 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.945 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 0.23 111.635 -172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 0.48 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 0.13 109.875 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 0.09 110.157 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.684 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.27 111.249 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 0.15 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD11 HG13 ' B' ' 103' ' ' VAL . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 0.11 111.248 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 103' ' ' VAL . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.14 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 0.16 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 0.16 111.25 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.736 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.28 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.14 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.09 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.13 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.06 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.21 110.288 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.67 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 1.26 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.21 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 0.18 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.17 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.19 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.12 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 1.22 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.491 ' OG1' HG11 ' B' ' 53' ' ' VAL . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 0.21 110.474 174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.64 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 0.44 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 0.16 110.704 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.457 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.24 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.23 110.409 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.27 111.096 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.28 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.47 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.5 mp . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 0.87 112.169 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 0.24 110.735 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.24 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 0.18 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 0.17 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.26 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 2.91 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 0.16 110.125 168.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.58 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 0.41 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.583 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.758 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.2 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.37 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.693 ' NE ' HG22 ' B' ' 82' ' ' VAL . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.075 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 0.21 110.005 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.19 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.23 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 0.18 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 0.15 110.2 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 0.95 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.23 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.21 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 57' ' ' VAL . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.22 110.823 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.31 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' CA ' ' A' ' 111' ' ' GLY . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 0.51 111.423 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.56 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 0.75 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 0.19 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 0.21 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.98 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.676 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 0.29 110.839 -176.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 79' ' ' VAL . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.01 110.773 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' SER . . . . . 0.458 ' OG ' ' HB1' ' B' ' 137' ' ' ALA . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.25 110.881 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 0.23 110.705 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 0.16 110.54 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.08 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 0.22 110.424 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.19 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.29 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.27 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.594 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.23 110.879 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.19 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.18 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 0.21 110.892 -177.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.14 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.584 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.11 110.734 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.15 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 0.18 110.786 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 92' ' ' CYS . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 0.13 110.073 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.928 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 0.23 111.529 -173.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 0.48 110.945 -176.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 0.13 109.802 173.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 0.09 109.994 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.665 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.27 111.316 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 0.15 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.513 HD11 HG13 ' A' ' 103' ' ' VAL . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 0.11 111.021 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 0.12 110.177 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.14 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 0.16 111.331 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.28 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.14 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 0.13 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.06 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.21 110.364 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 0.18 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.17 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.19 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.12 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 1.22 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.492 ' OG1' HG11 ' A' ' 53' ' ' VAL . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 0.21 110.352 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.64 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 0.44 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.16 110.564 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.24 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.449 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.27 111.092 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.28 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.477 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 0.36 111.272 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 0.31 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.782 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 0.24 110.825 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.14 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD22 HD12 ' A' ' 100' ' ' LEU . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 0.16 110.516 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.35 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.25 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.57 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 0.41 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 0.29 110.777 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.2 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.37 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.72 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 1.87 111.011 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 0.21 110.067 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.19 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 0.18 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.167 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.23 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 0.21 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' VAL . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 0.22 111.03 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.31 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.24 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.748 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 0.51 111.574 -172.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 0.75 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 0.25 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.18 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 0.29 110.885 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.01 110.741 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.25 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.39 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 0.23 110.74 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 0.16 110.388 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.08 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 0.93 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 0.22 110.39 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.19 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 0.29 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.27 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.23 111.026 -174.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.19 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.18 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 86' ' ' ASN . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 0.21 110.807 -176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.19 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.14 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.11 110.772 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 0.15 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 0.18 110.761 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.615 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 0.13 110.003 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HA ' HD21 ' A' ' 100' ' ' LEU . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.1 110.862 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 0.23 111.808 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD12 HD22 ' A' ' 44' ' ' LEU . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 0.48 110.957 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 0.13 109.864 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 0.09 110.028 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.703 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.28 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 0.15 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 106' ' ' LEU . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 0.11 111.036 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 103' ' ' VAL . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 0.12 110.256 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.14 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.16 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 0.16 111.332 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.76 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.28 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.14 110.82 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.13 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.06 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.21 110.549 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.67 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 1.26 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.21 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 0.18 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.17 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 0.19 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.12 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 1.22 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.547 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 0.21 110.421 173.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.64 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 0.44 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.789 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.462 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.24 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.783 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 0.23 110.482 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.27 111.05 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.28 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 0.36 111.443 -173.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 0.87 112.192 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.589 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.783 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.756 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.18 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.17 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.26 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 2.91 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 HD12 ' B' ' 100' ' ' LEU . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 0.16 110.349 171.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.35 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.25 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.58 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 0.29 110.756 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.2 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.37 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.728 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 1.87 110.877 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 49' ' ' ALA . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 0.21 110.053 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.19 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.23 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.18 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.624 ' O ' HG23 ' B' ' 61' ' ' VAL . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 0.15 110.148 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 0.95 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.23 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 0.21 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 57' ' ' VAL . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.937 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.31 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.76 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 0.51 111.564 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.56 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 0.75 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 0.19 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.25 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.18 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 0.98 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 0.29 110.782 -177.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.697 ' O ' HG23 ' B' ' 79' ' ' VAL . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.01 110.822 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.25 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.39 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.77 ' O ' HG23 ' B' ' 82' ' ' VAL . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.743 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 0.16 110.471 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.08 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.93 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 0.22 110.401 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 0.29 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.27 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.502 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.23 110.901 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.19 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.18 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' B' ' 86' ' ' ASN . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 0.21 110.959 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.19 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.14 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.609 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.11 110.773 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 0.15 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 0.18 110.696 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.619 ' O ' HD23 ' B' ' 100' ' ' LEU . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 0.13 110.005 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.513 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.1 110.873 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 100' ' ' LEU . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 0.23 111.656 -172.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.725 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.923 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 0.13 109.664 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 0.09 109.927 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.27 111.214 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 0.15 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.11 110.939 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.14 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 0.16 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.438 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 0.16 111.27 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.748 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.28 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.438 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.14 110.922 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.09 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.06 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.21 110.501 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.21 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 0.18 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.17 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 0.19 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.12 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 1.22 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.524 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 0.21 110.334 173.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.64 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 0.44 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 104' ' ' SER . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 0.16 110.683 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.461 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.24 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.782 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 0.24 110.418 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 0.27 111.039 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.28 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.528 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.352 -173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 0.87 112.134 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.504 HG12 HD22 ' B' ' 95' ' ' LEU . 24.9 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 0.31 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.71 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 0.24 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 0.18 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 0.17 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.26 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 2.91 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 0.16 110.286 168.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.35 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.25 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.57 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 0.41 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 0.29 110.754 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.2 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.37 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.708 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 1.87 111.123 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.727 HG11 ' OG1' ' B' ' 127' ' ' THR . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 0.21 110.064 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.19 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 0.18 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.175 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.21 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 0.22 110.976 -175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.31 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.24 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.866 HG21 ' CA ' ' B' ' 111' ' ' GLY . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 0.51 111.537 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.56 110.612 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 0.75 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 0.19 110.693 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.21 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 0.25 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 0.29 110.858 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.01 110.69 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.25 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.39 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.23 110.524 -176.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 0.16 110.471 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 0.93 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 0.22 110.413 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.459 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.19 110.786 175.092 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 0.29 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.27 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.23 110.982 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.19 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 86' ' ' ASN . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 0.21 110.722 -177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.14 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.11 110.639 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.555 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 83' ' ' SER . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.23 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.937 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 0.13 110.178 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 0.1 111.002 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 0.23 111.651 -172.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 0.48 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 44' ' ' LEU . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 0.13 109.936 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 0.09 110.057 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.704 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.27 111.326 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 0.15 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.503 ' HB2' HD13 ' B' ' 106' ' ' LEU . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 0.11 111.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 103' ' ' VAL . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 0.12 110.119 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.14 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 0.16 110.494 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' B' ' 109' ' ' ILE . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.36 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.28 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.14 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.09 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.13 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.06 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.407 HG21 ' CG1' ' B' ' 57' ' ' VAL . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.21 110.501 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.67 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 1.26 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.21 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 0.18 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.17 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.12 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 1.22 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.752 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.47 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.64 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 0.44 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.686 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 0.16 110.631 -178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.448 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.24 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.791 HG13 ' HB1' ' B' ' 37' ' ' ALA . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 0.23 110.511 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 0.27 111.042 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.28 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 0.36 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.4 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 0.87 112.065 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 95' ' ' LEU . 25.1 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 0.32 110.169 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.791 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 0.24 110.68 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.14 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.24 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 0.16 110.169 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.35 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.58 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.604 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 0.29 110.69 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.37 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.707 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 1.87 111.032 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.752 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 0.21 110.111 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.19 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 0.18 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 0.15 110.221 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 0.95 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 0.21 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.848 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.31 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.24 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 0.51 111.473 -175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.56 110.553 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 0.19 110.782 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.18 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 0.98 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 0.29 110.874 -176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.673 ' O ' HG23 ' B' ' 79' ' ' VAL . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.733 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.25 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.39 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 0.23 110.494 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 0.16 110.556 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.08 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.93 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 0.22 110.443 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.455 ' HB3' HG11 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.19 110.595 175.278 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 0.29 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.65 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.23 110.859 -174.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.19 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' B' ' 86' ' ' ASN . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 0.21 110.87 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.14 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' B' ' 96' ' ' VAL . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.6 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.558 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 83' ' ' SER . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 0.15 110.227 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.859 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 0.13 110.205 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' B' ' 82' ' ' VAL . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.1 110.947 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 0.23 111.491 -173.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 0.48 110.932 -176.099 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.409 ' HG2' HD12 ' B' ' 44' ' ' LEU . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 0.13 109.812 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 0.09 109.859 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.686 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.27 111.191 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 0.15 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 109' ' ' ILE . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 0.11 111.069 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.14 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 0.16 110.406 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 109' ' ' ILE . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 0.16 111.328 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.866 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.28 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.14 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.09 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.13 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.06 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.414 HG21 ' CG1' ' A' ' 57' ' ' VAL . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.21 110.505 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.67 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 1.26 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.21 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 0.18 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.17 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 0.19 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 1.22 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.727 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.375 174.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 0.44 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 0.16 110.598 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.24 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.788 HG13 ' HB1' ' A' ' 37' ' ' ALA . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 0.24 110.511 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 0.27 111.06 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.28 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.36 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.4 mp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 0.87 112.054 -176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HD22 ' B' ' 95' ' ' LEU . 21.8 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 0.31 110.226 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 0.24 110.702 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 0.24 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.18 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 0.17 110.683 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.26 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 2.91 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 100' ' ' LEU . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 0.16 110.406 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.35 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.25 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.57 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 0.41 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 0.29 110.671 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.2 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.37 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NE ' HG22 ' A' ' 82' ' ' VAL . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 1.87 111.035 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 49' ' ' ALA . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 0.21 109.939 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.19 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.23 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 0.18 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 53' ' ' VAL . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 0.15 110.191 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.23 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 0.21 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' VAL . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.972 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.31 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.24 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.624 HG21 ' HA2' ' B' ' 111' ' ' GLY . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 0.51 111.543 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.56 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 0.75 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 0.19 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.21 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 0.25 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.18 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 0.98 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.864 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.01 110.727 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.25 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.39 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 0.23 110.652 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 0.16 110.527 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.08 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 0.93 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 0.22 110.407 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.19 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 0.29 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.552 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.23 111.053 -174.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.19 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.18 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 0.21 110.828 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.19 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.14 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.11 110.709 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 0.15 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.886 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.213 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 0.1 111.018 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' B' ' 100' ' ' LEU . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 0.23 111.668 -172.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 0.48 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 0.13 109.892 173.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 0.09 110.106 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.728 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.27 111.245 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 0.15 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' A' ' 109' ' ' ILE . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.11 111.096 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 0.12 110.211 175.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.14 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 106' ' ' LEU . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 0.16 110.414 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 0.16 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.626 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.28 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.14 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.09 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.13 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.06 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.21 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.67 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 1.26 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.21 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 0.18 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.17 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 0.19 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.12 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 1.22 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 0.21 110.463 173.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.64 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 0.44 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.719 HG21 ' HA ' ' B' ' 104' ' ' SER . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 0.16 110.634 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.428 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.24 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 37' ' ' ALA . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 0.23 110.587 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 0.27 111.041 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 0.87 111.97 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 95' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 0.32 110.195 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.707 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 0.24 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 0.17 110.72 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.26 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 2.91 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 0.16 110.3 170.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.35 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.58 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 0.41 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 0.29 110.745 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.2 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.37 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' B' ' 82' ' ' VAL . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 1.87 111.012 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 49' ' ' ALA . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 0.21 109.947 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.23 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 0.18 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 53' ' ' VAL . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 0.15 110.334 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 57' ' ' VAL . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.914 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.24 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.626 HG21 ' HA2' ' A' ' 111' ' ' GLY . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 0.51 111.448 -174.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.56 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 0.75 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 0.19 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 0.25 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.18 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 0.98 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 0.29 110.812 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.01 110.696 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.25 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.39 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 0.23 110.611 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 0.16 110.589 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.08 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.93 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 0.22 110.412 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.19 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.23 110.913 -174.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.19 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.21 110.905 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.19 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.14 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.587 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.11 110.64 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 0.15 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.155 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.538 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.1 110.929 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 100' ' ' LEU . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 0.23 111.491 -172.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 0.48 110.876 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 0.13 109.782 173.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.97 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.27 111.258 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 0.15 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 109' ' ' ILE . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 0.11 110.976 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 0.12 110.106 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.14 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 0.16 110.38 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.16 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.28 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.14 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.09 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 0.13 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.06 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.21 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.67 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 1.26 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.21 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 0.18 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.17 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.19 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.12 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 1.22 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.496 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 0.21 110.382 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 0.44 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.728 HG21 ' HA ' ' A' ' 104' ' ' SER . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 0.16 110.597 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.418 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.735 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 0.24 110.453 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 0.27 111.013 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.28 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 0.36 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.564 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 0.87 111.942 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 HD22 ' B' ' 95' ' ' LEU . 22.4 t . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 0.31 110.176 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 0.24 110.708 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.14 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 0.18 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 0.17 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 2.91 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 0.16 110.497 170.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.35 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.25 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.57 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 0.41 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.761 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.2 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.37 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' A' ' 82' ' ' VAL . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.07 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 0.21 110.043 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 0.15 110.092 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 0.95 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.23 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 0.21 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 0.22 110.878 -176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.31 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.994 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.87 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 0.51 111.586 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 0.75 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.19 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.801 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 0.25 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.18 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 0.98 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 0.29 111.008 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.01 110.642 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.25 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.39 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 0.23 110.614 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 0.16 110.547 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.08 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 0.93 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 0.22 110.343 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.19 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 0.29 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.23 111.025 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.19 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 86' ' ' ASN . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 0.21 110.696 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.19 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.14 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.628 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.11 110.645 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 0.15 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' B' ' 37' ' ' ALA . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 0.18 110.842 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 0.13 109.981 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.518 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 0.1 110.842 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 0.23 111.826 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 0.48 110.857 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 44' ' ' LEU . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 0.13 109.854 173.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.492 HG13 HD11 ' B' ' 106' ' ' LEU . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 0.09 109.873 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.354 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 0.15 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 106' ' ' LEU . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 0.11 111.173 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 103' ' ' VAL . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 0.12 110.201 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.407 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.14 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 0.16 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 0.16 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.837 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.28 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.14 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.09 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.06 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.21 110.457 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.67 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.21 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 0.18 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.17 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 0.19 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 0.21 110.457 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.64 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 0.44 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.717 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 0.16 110.756 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.454 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.24 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 0.23 110.511 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 0.27 111.17 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.28 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 0.36 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.7 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 0.87 112.035 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 0.32 110.137 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.785 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 0.24 110.73 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.14 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 0.18 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 0.17 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 2.91 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 0.16 110.272 170.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.25 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.58 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 0.41 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.75 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.37 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.68 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 1.87 110.987 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.21 110.15 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.19 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.18 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.196 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 0.95 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.23 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 0.21 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.22 110.873 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.31 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.837 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 0.51 111.482 -173.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.56 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 0.75 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.19 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 0.21 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 0.98 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.66 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 0.29 110.906 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.634 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.01 110.644 -177.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.25 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.39 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 0.23 110.587 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 0.16 110.601 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.08 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 0.93 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 0.22 110.302 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 0.29 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.591 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.23 110.904 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.19 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 86' ' ' ASN . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 0.21 110.857 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.14 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.629 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.11 110.654 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 0.15 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 0.18 110.767 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.043 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.497 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.1 110.718 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.23 111.624 -173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 0.48 111.03 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' B' ' 44' ' ' LEU . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 0.13 109.694 174.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.491 HG13 HD11 ' A' ' 106' ' ' LEU . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 0.09 109.823 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.717 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.27 111.314 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 0.15 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' A' ' 106' ' ' LEU . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.11 111.032 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 103' ' ' VAL . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.14 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 0.16 111.298 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.87 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.28 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.409 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.14 110.868 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.09 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.06 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.21 110.549 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.67 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.21 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 0.18 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.17 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 0.19 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 1.22 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.538 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.308 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.64 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 0.44 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.583 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.788 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.491 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.27 111.207 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.28 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mp . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 0.87 111.996 -175.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG12 HD22 ' B' ' 95' ' ' LEU . 24.4 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.31 110.229 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.754 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.14 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.24 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.26 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 2.91 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 0.16 110.398 168.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.35 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.25 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.57 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 0.41 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 0.29 110.71 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.2 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.37 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.043 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 57' ' ' VAL . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 0.21 109.925 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.23 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.18 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 0.15 110.182 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.23 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HD23 ' A' ' 71' ' ' LEU . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 0.21 110.874 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 0.22 111.112 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.31 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.417 ' CG ' HD13 ' B' ' 115' ' ' ILE . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.789 HG21 ' CA ' ' B' ' 111' ' ' GLY . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 0.51 111.477 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.56 110.52 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 0.75 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.697 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 0.21 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 60' ' ' LEU . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.874 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 0.98 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.29 110.869 -177.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.01 110.648 -177.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.25 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 0.23 110.592 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 0.16 110.549 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.08 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 0.22 110.319 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.19 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.584 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.23 110.998 -175.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.19 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.18 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 86' ' ' ASN . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 0.21 110.698 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.14 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.666 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 0.15 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' B' ' 37' ' ' ALA . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 0.18 110.812 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.62 ' O ' HD23 ' A' ' 100' ' ' LEU . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 0.13 109.942 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.1 110.752 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 0.23 111.893 -173.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.692 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 0.48 110.812 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 0.13 109.858 173.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.09 110.029 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.725 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.27 111.309 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 0.15 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' B' ' 106' ' ' LEU . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 0.11 111.084 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 0.12 110.222 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.14 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 0.16 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 0.16 111.318 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.786 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.28 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.14 111.317 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.09 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' B' ' 113' ' ' SER . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.13 110.414 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.06 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.21 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.67 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 1.26 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.21 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 0.18 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.19 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 1.22 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.461 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.446 173.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.64 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.44 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 0.16 110.646 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.24 111.203 -177.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.774 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 0.23 110.48 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 0.27 111.1 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 0.36 111.419 -173.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.4 mp . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 0.87 112.191 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.529 HG12 HD22 ' A' ' 95' ' ' LEU . 24.5 t . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 0.32 110.202 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 0.24 110.721 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.14 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 0.24 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 0.18 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 0.17 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.26 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' HA3' ' A' ' 131' ' ' GLY . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 0.16 110.119 168.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.25 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.58 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.734 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 1.87 111.032 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.573 ' O ' HG23 ' B' ' 57' ' ' VAL . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 0.21 110.142 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.19 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.23 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.18 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.608 ' O ' HG23 ' B' ' 61' ' ' VAL . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 0.15 110.198 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 0.95 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.23 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.471 HD21 HD23 ' B' ' 71' ' ' LEU . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.912 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 57' ' ' VAL . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.22 111.008 -175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.24 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' PRO . . . . . 0.409 ' CG ' HD13 ' A' ' 115' ' ' ILE . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.786 HG21 ' CA ' ' A' ' 111' ' ' GLY . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 0.51 111.379 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.533 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.75 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 0.19 110.715 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.21 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.471 HD23 HD21 ' B' ' 60' ' ' LEU . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.804 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 0.98 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 0.29 110.847 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.645 ' O ' HG23 ' B' ' 79' ' ' VAL . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.762 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.25 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.654 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 0.16 110.603 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 0.93 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 0.22 110.309 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.19 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 0.29 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.27 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.606 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.817 -174.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.19 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.21 110.834 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.19 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.606 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.11 110.619 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 0.15 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 0.18 110.679 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 0.13 109.921 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.557 ' HB3' HG11 ' B' ' 82' ' ' VAL . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.1 110.74 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 0.23 111.692 -173.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 0.48 110.928 -175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 0.13 109.702 173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.566 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 0.09 109.919 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.285 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 0.15 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 106' ' ' LEU . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 0.11 111.026 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 0.12 110.186 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.14 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 106' ' ' LEU . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 0.16 111.379 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.789 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.28 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.14 111.242 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.09 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 113' ' ' SER . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.13 110.435 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.06 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.21 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 1.26 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.21 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 0.18 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.17 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.12 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 1.22 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.456 ' OG1' HG11 ' A' ' 53' ' ' VAL . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 0.21 110.349 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.64 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 0.44 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.567 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' SER . . . . . 0.404 ' HB2' HD12 ' B' ' 75' ' ' ILE . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.24 111.024 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.776 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.24 110.425 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 0.27 111.15 -175.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 0.36 111.36 -173.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.4 mp . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 0.87 112.127 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG12 HD22 ' B' ' 95' ' ' LEU . 42.5 t . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 0.31 110.156 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 0.24 110.777 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.14 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 0.18 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 0.17 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.26 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 2.91 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 0.16 110.434 172.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.35 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.25 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.57 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.41 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 0.29 110.752 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.2 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.37 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.656 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 1.87 111.084 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 0.21 109.926 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.19 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 0.18 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 0.15 110.201 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 0.95 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 0.21 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 0.22 110.99 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.31 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.24 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.868 HG21 ' CA ' ' B' ' 111' ' ' GLY . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 0.51 111.579 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.56 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 0.75 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 0.19 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 0.21 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 0.25 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.29 110.837 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.661 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.25 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.39 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.23 110.598 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 0.16 110.443 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.08 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 0.93 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 0.22 110.371 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.19 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.23 111.057 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.19 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 0.21 110.758 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.19 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.14 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.11 110.708 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.874 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 0.13 110.239 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.579 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.1 111.065 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 0.23 111.639 -172.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 0.48 110.537 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 98' ' ' ALA . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 0.13 109.861 173.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 0.09 110.101 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.75 ' HA ' HG21 ' B' ' 130' ' ' VAL . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.27 111.3 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 0.15 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.11 111.158 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 0.12 110.244 176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.14 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 0.16 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 106' ' ' LEU . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.16 111.312 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.14 110.868 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.09 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.13 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.06 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.21 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.67 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 1.26 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.21 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 0.18 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.17 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 0.19 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.12 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 1.22 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.463 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 0.21 110.615 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.64 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 0.44 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 0.16 110.685 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.24 111.159 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.775 HG13 ' HB1' ' B' ' 37' ' ' ALA . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 0.23 110.513 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 0.27 111.113 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.28 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 0.36 111.456 -173.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 0.87 112.064 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 0.32 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.24 110.701 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 0.18 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 0.17 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 2.91 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 0.16 110.279 172.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.25 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.58 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 0.41 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.638 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 0.29 110.817 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 1.87 111.003 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 0.21 110.018 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.19 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 0.18 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.604 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 0.15 110.261 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 0.95 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.23 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.21 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 57' ' ' VAL . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 0.22 110.913 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.31 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 0.51 111.554 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.56 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 0.75 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 0.19 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 0.21 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 0.25 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.18 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.98 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 0.29 110.897 -177.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.653 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.25 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.23 110.544 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 0.16 110.502 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.08 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 0.93 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 0.22 110.422 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 0.29 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.23 110.929 -174.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.19 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.18 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 0.21 110.897 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.19 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.14 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.11 110.668 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.647 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.18 110.802 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.102 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.571 ' HB3' HG11 ' B' ' 82' ' ' VAL . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.1 110.96 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 0.23 111.429 -172.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 0.48 110.855 -176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 0.13 109.77 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.743 ' O ' HG23 ' B' ' 107' ' ' VAL . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 0.09 109.944 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.733 ' HA ' HG21 ' A' ' 130' ' ' VAL . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.268 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 0.15 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.535 ' CD1' HG13 ' A' ' 103' ' ' VAL . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 0.11 111.0 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.12 110.325 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.14 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 0.16 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.418 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 0.16 111.328 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.868 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.28 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.418 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.14 110.94 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.09 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 0.13 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.06 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.21 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 0.18 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.17 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 0.19 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.12 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.22 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.444 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 0.21 110.42 174.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 0.44 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 0.16 110.672 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' SER . . . . . 0.431 ' HB2' HD12 ' B' ' 75' ' ' ILE . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.24 110.9 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 37' ' ' ALA . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 0.24 110.483 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.27 111.123 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.28 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 0.36 111.361 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.2 mp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 0.87 112.022 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG12 HD22 ' B' ' 95' ' ' LEU . 22.5 t . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 0.31 110.235 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.792 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 0.24 110.756 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.14 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 0.24 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 0.17 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.26 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 2.91 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 0.16 110.283 168.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.35 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.25 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.57 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 0.41 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.68 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.2 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.37 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.689 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 1.87 111.116 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.23 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 0.18 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 0.15 110.265 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 0.21 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.946 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.665 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 0.51 111.686 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.56 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 0.75 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 0.19 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 0.21 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 0.25 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.18 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 0.98 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.871 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.01 110.709 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.25 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.39 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 0.23 110.53 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 0.16 110.519 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.08 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 0.93 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 0.22 110.324 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.19 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 0.29 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.27 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.576 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.23 110.957 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.19 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.18 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 0.21 110.658 -177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.19 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.14 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.698 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 0.15 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.675 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.18 110.947 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 0.13 110.184 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.818 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.1 111.018 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 0.23 111.72 -172.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 0.48 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 44' ' ' LEU . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 0.13 109.949 173.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' B' ' 103' ' ' VAL . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 0.09 109.96 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.731 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.27 111.327 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 0.15 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' B' ' 106' ' ' LEU . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 0.11 111.291 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 0.12 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.14 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 0.16 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 0.16 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.28 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.14 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.09 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.13 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.06 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.21 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.67 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 1.26 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.21 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 0.18 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.17 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 0.19 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.12 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 1.22 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.579 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 0.21 110.487 174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.64 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 0.44 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 0.16 110.721 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.24 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 0.23 110.451 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 0.27 111.09 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 0.36 111.445 -173.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 0.87 112.174 -175.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 95' ' ' LEU . 22.8 t . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 0.32 110.161 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.761 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.14 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 0.24 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 0.17 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.26 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 2.91 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 0.16 110.085 168.231 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.25 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.58 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 0.41 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 0.29 110.814 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.2 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.696 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 1.87 111.004 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.21 110.074 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.19 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.23 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 0.18 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.15 110.258 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.23 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.934 -175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.31 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.24 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.678 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 0.51 111.637 -173.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.56 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 0.75 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 0.19 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 0.25 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.18 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 0.29 110.832 -177.14 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.01 110.725 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.25 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.39 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.753 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 0.23 110.608 -176.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 0.16 110.568 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.08 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 0.22 110.368 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.19 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.877 -174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.19 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.21 110.823 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.19 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.14 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.598 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.11 110.687 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 0.15 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.664 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 0.18 110.772 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 0.13 110.136 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.1 110.887 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 0.23 111.535 -173.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 0.48 110.958 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 0.13 109.8 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 103' ' ' VAL . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 0.09 109.817 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.758 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.245 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 0.15 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 106' ' ' LEU . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.11 111.092 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 0.12 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.14 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 0.16 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 0.16 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.665 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.28 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.14 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.09 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 0.13 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.06 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.21 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.67 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 1.26 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.21 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 0.18 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.17 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.19 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.12 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 1.22 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.574 ' OG1' HG11 ' A' ' 53' ' ' VAL . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 0.21 110.451 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.64 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 0.44 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 0.16 110.622 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.411 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.24 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.766 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.484 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 0.27 111.11 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.28 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.458 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.299 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.792 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 0.87 112.078 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.545 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 0.31 110.199 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 0.24 110.71 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 0.18 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.26 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 2.91 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 100' ' ' LEU . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 0.16 110.347 171.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.35 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.25 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.57 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.721 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.2 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.37 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 1.87 111.074 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 0.21 109.88 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.19 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.23 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 0.15 110.237 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 0.95 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 0.21 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 0.22 110.969 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.31 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.24 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.655 HG21 ' HA2' ' B' ' 111' ' ' GLY . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 0.51 111.503 -173.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.56 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 0.75 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 0.21 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 0.25 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.18 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.98 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.29 110.928 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.01 110.682 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.25 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.39 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.23 110.698 -175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 0.16 110.519 -177.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.08 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 0.93 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 0.22 110.42 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.643 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.23 111.037 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.19 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.18 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 86' ' ' ASN . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 0.21 110.75 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.19 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.14 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.11 110.687 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 0.15 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.703 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 0.18 110.876 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 0.13 110.163 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 0.1 111.02 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 0.23 111.701 -172.486 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 0.48 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 0.13 110.047 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 0.09 110.178 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.661 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.27 111.286 -178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.15 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' B' ' 103' ' ' VAL . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 0.11 111.018 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 0.12 110.255 176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.14 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 0.16 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.484 ' C ' HG21 ' B' ' 66' ' ' THR . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 0.16 111.385 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.679 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.28 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.14 110.9 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.09 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.13 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.06 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.21 110.414 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.21 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 0.18 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.17 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 0.19 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.12 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 1.22 111.044 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.533 ' OG1' HG11 ' B' ' 53' ' ' VAL . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.423 173.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.64 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 0.44 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.633 -178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.24 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 37' ' ' ALA . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 0.23 110.535 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 0.27 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.28 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 0.36 111.421 -174.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.8 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 0.87 112.233 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 95' ' ' LEU . 22.1 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 0.32 110.11 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 0.24 110.715 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 0.24 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 0.18 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.26 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 2.91 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' B' ' 100' ' ' LEU . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 0.16 110.238 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.35 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.58 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 0.41 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 0.29 110.756 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.37 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.657 ' NE ' HG22 ' B' ' 82' ' ' VAL . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 1.87 111.03 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 49' ' ' ALA . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 0.21 109.923 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.19 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 0.18 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 61' ' ' VAL . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 0.15 110.212 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 0.95 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.23 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.21 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 57' ' ' VAL . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.901 -175.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.31 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.24 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.679 HG21 ' HA2' ' A' ' 111' ' ' GLY . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 0.51 111.473 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.56 110.651 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 0.75 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.853 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 0.25 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.18 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 0.98 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 0.29 110.956 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.01 110.747 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.25 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.39 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 0.23 110.653 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 0.16 110.612 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.08 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 0.93 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 0.22 110.385 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.19 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 0.29 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.957 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.19 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.18 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' B' ' 86' ' ' ASN . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 0.21 110.809 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.19 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.14 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.11 110.732 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 0.15 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.717 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.819 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 0.13 110.149 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' B' ' 100' ' ' LEU . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 0.1 110.927 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 0.23 111.507 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.554 ' CD1' HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 0.48 110.944 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 0.13 109.874 173.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 0.09 110.052 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.65 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.27 111.224 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 0.15 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 103' ' ' VAL . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 0.11 110.851 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 0.12 110.28 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.14 110.763 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 0.16 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.488 ' C ' HG21 ' A' ' 66' ' ' THR . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 0.16 111.238 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.28 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.14 111.035 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.09 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.06 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.509 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.413 -177.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.67 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 1.26 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.21 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 0.18 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.17 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 0.19 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 1.22 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.527 ' OG1' HG11 ' A' ' 53' ' ' VAL . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.302 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.64 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 0.44 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.661 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 0.16 110.517 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.24 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.78 HG13 ' HB1' ' A' ' 37' ' ' ALA . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 0.24 110.489 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.28 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 0.36 111.259 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 138' ' ' LEU . 6.8 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 0.87 112.198 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HD22 ' B' ' 95' ' ' LEU . 22.3 t . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.31 110.172 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.24 110.689 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.14 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.18 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.26 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 2.91 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 0.16 110.175 166.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.35 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.25 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.57 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.41 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.29 110.769 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.2 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.37 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.054 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 0.21 110.206 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.19 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.23 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 0.18 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 0.15 110.141 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.23 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 0.21 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 0.22 110.987 -176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.31 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.24 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.735 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 0.51 111.567 -174.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.56 110.801 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 0.19 110.829 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 0.21 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 0.29 110.829 -177.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.01 110.65 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.25 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.39 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.23 110.641 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 0.16 110.592 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.08 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.93 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 0.22 110.374 178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.19 110.822 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.27 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.554 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.23 110.97 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.19 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.18 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 86' ' ' ASN . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 0.21 110.734 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.19 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.14 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.11 110.736 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.451 HG11 ' OG ' ' A' ' 83' ' ' SER . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 36' ' ' VAL . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 0.18 110.906 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 0.13 110.171 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.1 110.954 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 0.23 111.674 -172.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 0.48 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 0.13 109.994 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 0.09 110.031 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.761 ' HA ' HG21 ' B' ' 130' ' ' VAL . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.27 111.265 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 0.15 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' B' ' 110' ' ' LEU . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.11 111.099 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 103' ' ' VAL . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.14 110.873 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.597 ' CD1' HD22 ' B' ' 106' ' ' LEU . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 0.16 111.28 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.28 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.14 110.818 -176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.13 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.06 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.334 -177.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.67 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 1.26 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.21 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 0.18 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.17 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.19 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.12 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 1.22 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.21 110.54 173.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.64 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 0.44 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 0.16 110.624 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' A' ' 75' ' ' ILE . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.24 111.128 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.777 HG13 ' HB1' ' B' ' 37' ' ' ALA . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 0.23 110.514 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 0.27 111.099 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.28 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.385 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.865 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.2 mp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 0.87 112.053 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.575 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 0.32 110.174 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.865 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 0.24 110.676 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.14 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.18 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.26 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 2.91 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 0.16 110.027 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.25 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.58 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 0.41 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.605 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 0.29 110.682 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.2 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.008 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 49' ' ' ALA . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 0.21 110.166 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.665 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 0.15 110.166 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 0.21 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 57' ' ' VAL . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 0.22 110.832 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.31 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.24 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.727 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 0.51 111.525 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.56 110.671 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 0.75 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 0.19 110.808 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 0.25 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.18 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 0.98 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.665 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 0.29 110.803 -177.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.01 110.715 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.25 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.39 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 0.23 110.624 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 0.16 110.609 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.08 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 0.93 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 0.22 110.348 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.447 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.19 110.658 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.29 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.923 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.19 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.18 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 0.21 110.899 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.19 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.14 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.562 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.11 110.712 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.447 HG11 ' OG ' ' B' ' 83' ' ' SER . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 0.15 110.136 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.539 HD22 HG12 ' A' ' 36' ' ' VAL . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.18 110.818 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 0.13 110.121 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.529 ' O ' HD23 ' B' ' 100' ' ' LEU . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.937 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 0.23 111.465 -173.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 0.48 110.96 -176.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 0.13 109.847 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.682 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 0.09 109.898 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.743 ' HA ' HG21 ' A' ' 130' ' ' VAL . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.27 111.267 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 0.15 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 110' ' ' LEU . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 0.11 110.949 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 103' ' ' VAL . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 0.12 110.258 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.14 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 0.16 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 106' ' ' LEU . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 0.16 111.185 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.735 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.28 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.425 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.14 110.94 -176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 0.13 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.508 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.21 110.442 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 1.26 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.21 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 0.18 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.17 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 0.19 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.81 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 53' ' ' VAL . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 0.21 110.489 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.64 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 0.44 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 104' ' ' SER . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 0.16 110.63 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' B' ' 75' ' ' ILE . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.24 111.025 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 37' ' ' ALA . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 0.24 110.419 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 0.27 111.144 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.36 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.846 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 0.87 112.075 -176.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HD22 ' B' ' 95' ' ' LEU . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.31 110.208 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 0.24 110.805 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.14 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.18 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.17 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.26 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 2.91 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 0.16 110.362 171.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.35 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.25 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.57 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.769 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.2 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.37 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 1.87 111.108 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 0.21 109.959 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.19 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.23 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 0.18 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 61' ' ' VAL . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 0.15 110.164 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 0.95 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 0.21 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 0.22 110.97 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.31 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.755 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 0.51 111.663 -173.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.56 110.879 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 0.75 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 0.19 110.758 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 0.25 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.18 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.797 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.01 110.617 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.25 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.39 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.667 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 0.16 110.499 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.08 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 0.93 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 0.22 110.461 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.19 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 0.29 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.27 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.549 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.23 111.011 -174.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.19 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.549 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 0.21 110.803 -177.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.19 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.14 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.658 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 0.15 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.84 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 0.13 110.128 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.1 111.008 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' B' ' 96' ' ' VAL . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 0.23 111.672 -172.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 0.48 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 0.13 109.834 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.09 109.876 177.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.786 ' HA ' HG21 ' B' ' 130' ' ' VAL . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.27 111.353 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 0.15 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.11 111.256 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 0.12 110.116 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.14 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.16 110.464 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 0.16 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.747 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.28 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.14 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.09 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.13 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.06 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.21 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.67 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 1.26 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 0.18 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.17 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.12 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 1.22 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.21 110.575 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 0.44 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 0.16 110.71 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.524 ' HB2' HD12 ' A' ' 75' ' ' ILE . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.24 111.239 -176.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.731 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 0.23 110.438 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 0.27 111.147 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.28 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.832 HD22 ' HB3' ' B' ' 37' ' ' ALA . 9.7 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 0.87 112.27 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.643 HG12 HD22 ' A' ' 95' ' ' LEU . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 0.32 110.258 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.832 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 0.24 110.761 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 0.18 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 0.17 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 2.91 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 0.16 110.128 171.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.35 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.25 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.58 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 0.41 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.29 110.784 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.2 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.672 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 1.87 110.99 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 0.21 110.097 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.19 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 0.15 110.194 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.23 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 0.21 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 0.22 110.948 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.31 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.747 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 0.51 111.509 -173.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.56 110.813 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.75 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 0.19 110.829 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 0.21 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 0.25 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.18 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 0.98 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 0.29 110.837 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.637 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.01 110.755 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.25 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.39 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.655 -175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 0.16 110.531 -177.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.93 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 0.22 110.385 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.19 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 0.29 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.871 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.19 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 0.21 110.885 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.19 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.14 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.617 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.11 110.676 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.18 110.79 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.074 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.551 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 0.1 110.948 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 96' ' ' VAL . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 0.23 111.497 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 0.48 110.945 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 0.13 109.781 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 0.09 109.77 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.776 ' HA ' HG21 ' A' ' 130' ' ' VAL . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.27 111.35 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 0.15 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 0.11 111.124 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 0.12 110.202 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.14 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.327 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 0.16 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.28 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.14 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.09 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 0.13 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.06 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.21 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.67 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 1.26 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.21 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 0.18 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.17 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.19 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.12 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 1.22 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 53' ' ' VAL . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.481 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.64 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 0.44 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 0.16 110.647 -176.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' SER . . . . . 0.526 ' HB2' HD12 ' B' ' 75' ' ' ILE . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.24 111.093 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.738 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 0.24 110.391 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.105 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 37' ' ' ALA . 9.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 0.87 112.235 -173.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 0.31 110.222 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 0.24 110.783 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.14 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.18 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.26 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 0.16 110.29 170.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.35 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.57 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 0.41 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 0.29 110.754 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.2 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.37 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.662 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 1.87 111.108 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 49' ' ' ALA . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.21 110.298 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.19 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.18 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' VAL . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.164 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 0.21 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 0.22 111.015 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.31 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.24 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 ' CA ' ' B' ' 111' ' ' GLY . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 0.51 111.405 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.56 110.384 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 0.75 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 0.19 110.512 179.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 0.21 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 0.25 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.18 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 0.98 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.927 -176.048 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.01 110.694 -177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.25 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.39 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.601 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 0.16 110.587 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.08 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 0.93 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 0.22 110.389 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.19 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.29 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.27 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.597 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.23 111.0 -174.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.19 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.18 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' ASN . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 0.21 110.798 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.19 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.11 110.735 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' HD22 ' A' ' 89' ' ' LEU . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 0.15 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 0.18 110.86 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 0.13 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.546 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.1 110.976 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 0.23 111.647 -172.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 0.48 110.543 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 0.13 109.906 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 0.09 110.141 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.673 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.27 111.315 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 0.15 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' B' ' 106' ' ' LEU . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.11 111.172 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 0.12 110.212 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.14 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 0.16 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' B' ' 106' ' ' LEU . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 0.16 111.312 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.721 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.28 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.14 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.09 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.13 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.06 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.21 110.364 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.21 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 0.18 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.17 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 0.19 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.12 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 1.22 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 0.21 110.388 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.64 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 0.44 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 0.16 110.663 -177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.24 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.753 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 0.23 110.537 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 0.27 111.222 -174.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 0.36 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.1 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 0.87 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 0.32 110.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.845 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 0.24 110.754 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.14 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 0.24 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 0.17 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.26 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 2.91 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' B' ' 100' ' ' LEU . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 0.16 110.16 170.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.35 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.25 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.58 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 0.29 110.734 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.2 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.37 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 1.87 111.044 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 0.21 110.307 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.19 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.635 ' O ' HG23 ' B' ' 61' ' ' VAL . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.15 110.169 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 0.95 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.23 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.21 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 0.22 110.964 -175.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.31 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.24 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.721 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 0.51 111.333 -176.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.56 110.373 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 0.75 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.19 110.553 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 0.21 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.18 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.642 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.955 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.01 110.738 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.25 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.39 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 0.23 110.619 -175.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' ILE . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 0.16 110.659 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.08 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 0.22 110.369 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.19 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 0.29 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.27 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.629 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.23 110.854 -173.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.19 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.18 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 86' ' ' ASN . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 0.21 110.876 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.19 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.6 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.11 110.735 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.504 ' OD2' HD22 ' B' ' 89' ' ' LEU . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 0.15 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.793 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 0.13 110.107 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.544 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.731 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.1 110.906 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 0.23 111.458 -172.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 0.48 110.99 -176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 0.13 109.776 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 107' ' ' VAL . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 0.09 109.925 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.66 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.27 111.258 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 0.15 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 103' ' ' VAL . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 0.11 110.977 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 0.12 110.194 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.14 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 106' ' ' LEU . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 0.16 111.313 -176.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.728 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.28 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.14 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.06 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.526 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.322 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.67 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 1.26 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.21 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 0.18 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.17 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 1.22 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 53' ' ' VAL . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 0.21 110.376 173.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.64 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 0.44 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 104' ' ' SER . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 0.16 110.648 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.24 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.745 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.538 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.27 111.147 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.28 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 0.36 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.1 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 0.87 112.262 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 0.31 110.182 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.24 110.755 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 0.17 110.81 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 2.91 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 100' ' ' LEU . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 0.16 110.525 171.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.35 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.25 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.57 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 0.41 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 0.29 110.724 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.2 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.37 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 1.87 110.986 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.765 HG11 ' OG1' ' B' ' 127' ' ' THR . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 0.21 110.065 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 0.18 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 0.15 110.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 0.95 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.23 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 0.21 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 0.22 111.004 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.797 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 0.51 111.5 -174.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.56 110.879 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 0.75 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.673 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 0.25 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.18 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 0.98 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 0.29 110.871 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.01 110.676 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.25 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.39 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 0.23 110.575 -176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 0.16 110.493 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.93 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 0.22 110.402 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.19 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 0.29 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.27 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.636 ' HB3' HD12 ' A' ' 89' ' ' LEU . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.23 110.816 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.19 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.18 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 86' ' ' ASN . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 0.21 110.783 -176.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.19 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.14 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.11 110.732 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 0.15 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 0.18 110.792 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.622 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.13 109.982 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.1 110.832 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 0.23 111.826 -172.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 0.48 110.852 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 0.13 109.899 173.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.09 110.031 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.712 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.315 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 0.15 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 0.11 111.064 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 103' ' ' VAL . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 0.12 110.324 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.14 110.963 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 0.16 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 0.16 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.802 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.28 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.14 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.13 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.06 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.21 110.45 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.67 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 1.26 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.21 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 0.18 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 0.19 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.12 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 1.22 111.03 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.766 ' OG1' HG11 ' B' ' 53' ' ' VAL . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 0.21 110.308 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.64 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 0.44 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.719 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.442 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.24 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.786 HG13 ' HB1' ' B' ' 37' ' ' ALA . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 0.23 110.438 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 0.27 110.974 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 0.36 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 0.87 111.925 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.612 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 0.32 110.21 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 0.24 110.644 178.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.14 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.17 110.607 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 2.91 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.773 HD22 HD12 ' B' ' 100' ' ' LEU . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 0.16 110.335 171.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.35 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.25 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.58 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 0.41 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.613 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 0.29 110.791 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.2 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.37 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.979 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.766 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 0.21 110.033 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.19 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.23 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 61' ' ' VAL . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 0.15 110.159 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 0.95 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 0.21 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.876 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.31 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.24 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.802 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 0.51 111.46 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.709 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 0.75 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.775 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 0.25 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.18 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.849 -176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.686 ' O ' HG23 ' B' ' 79' ' ' VAL . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.01 110.698 -177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.25 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.39 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.73 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 0.23 110.606 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 75' ' ' ILE . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 0.16 110.512 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.08 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 0.93 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 0.22 110.388 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.19 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 0.29 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.652 ' HB3' HD12 ' B' ' 89' ' ' LEU . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.23 110.746 -174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.19 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.18 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 86' ' ' ASN . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 0.21 110.893 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.19 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.11 110.723 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.63 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 0.18 110.746 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.08 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.541 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.1 110.776 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 0.23 111.574 -172.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.773 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 0.48 111.004 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 0.13 109.738 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.702 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.09 109.891 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.27 111.225 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.15 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.465 HD11 HG13 ' A' ' 103' ' ' VAL . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 0.11 110.913 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 103' ' ' VAL . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 0.12 110.311 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.14 110.917 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 0.16 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 0.16 111.266 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.797 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.28 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.14 110.872 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.09 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 0.13 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.49 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.446 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.67 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 1.26 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.21 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 0.18 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.17 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 0.19 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.12 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.839 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.765 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 0.21 110.283 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 0.44 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.712 HG21 ' HA ' ' A' ' 104' ' ' SER . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 0.16 110.603 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.43 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.24 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 0.24 110.506 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 0.27 111.119 -176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.28 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 0.87 111.877 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.525 HG12 HD22 ' B' ' 95' ' ' LEU . 23.0 t . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 0.31 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 0.24 110.759 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 0.18 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.17 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.26 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD22 HD12 ' A' ' 100' ' ' LEU . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 0.16 110.541 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.25 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.57 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 0.41 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 0.29 110.761 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.2 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.37 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 1.87 111.124 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 0.21 110.204 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.19 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 0.15 110.15 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.95 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.23 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.21 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 0.22 111.008 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.24 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.732 HG21 ' N ' ' B' ' 111' ' ' GLY . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 0.51 111.613 -174.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.523 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.56 110.687 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 0.75 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 0.19 110.67 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 0.21 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 0.25 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.18 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 0.98 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.29 110.996 -176.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.01 110.7 -177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.25 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.39 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.616 -175.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 0.16 110.517 -177.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.93 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 0.22 110.358 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.19 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 0.29 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.27 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.997 -174.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.19 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 0.21 110.779 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.19 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.14 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.61 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.11 110.712 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.896 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.626 ' O ' HD23 ' A' ' 100' ' ' LEU . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 0.13 109.856 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' ' 100' ' ' LEU . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.739 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 0.1 110.752 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 0.23 111.832 -172.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.826 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 0.48 110.93 -175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 98' ' ' ALA . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 0.13 109.938 174.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 0.09 110.062 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.683 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 111.306 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 0.15 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 0.11 111.091 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 0.12 110.233 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.14 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.16 110.434 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' B' ' 66' ' ' THR . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 0.16 111.386 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.736 ' N ' HG21 ' B' ' 66' ' ' THR . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.404 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.14 110.898 -176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.09 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.13 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.06 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.67 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 1.26 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.21 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 0.18 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.17 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.19 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.12 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 1.22 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.582 ' CG2' HD11 ' B' ' 44' ' ' LEU . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 0.21 110.465 173.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.64 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 0.44 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 0.16 110.698 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.445 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.24 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.465 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 0.27 111.158 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.36 111.441 -173.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 0.87 112.197 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.532 HG12 HD22 ' A' ' 95' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 0.32 110.065 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.68 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 0.24 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 0.17 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 2.91 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.804 HD22 HD12 ' B' ' 100' ' ' LEU . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 171.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.58 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 0.41 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 0.29 110.826 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.679 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 1.87 110.96 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 49' ' ' ALA . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 0.21 110.167 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.23 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 0.18 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.533 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 0.15 110.298 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.23 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.21 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 57' ' ' VAL . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 0.22 110.904 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.31 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.24 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' N ' ' A' ' 111' ' ' GLY . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 0.51 111.541 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.566 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.511 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 0.19 110.662 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 0.25 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.18 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 0.98 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 0.29 110.986 -176.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.639 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.01 110.715 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.25 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 0.23 110.655 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.597 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.08 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 0.22 110.407 178.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.565 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.23 110.869 -174.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.19 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 0.21 110.839 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.19 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.14 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.11 110.62 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 0.15 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.737 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.631 ' O ' HD23 ' B' ' 100' ' ' LEU . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 0.13 109.871 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' B' ' 100' ' ' LEU . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.1 110.76 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 100' ' ' LEU . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.23 111.635 -172.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.804 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.958 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 98' ' ' ALA . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 0.13 109.778 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.953 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.676 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.27 111.203 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 0.15 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 109' ' ' ILE . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 0.11 110.942 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 0.12 110.19 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.14 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 0.16 110.39 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.424 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.16 111.274 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.732 ' N ' HG21 ' A' ' 66' ' ' THR . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.28 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.424 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.14 111.002 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.09 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.13 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.06 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.21 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.67 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 0.18 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.17 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 0.19 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.12 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.578 ' CG2' HD11 ' A' ' 44' ' ' LEU . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 0.21 110.327 173.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 0.44 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.683 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.646 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.801 HG13 ' HB1' ' A' ' 37' ' ' ALA . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.24 110.44 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 0.27 111.139 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 0.36 111.381 -173.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 0.31 110.213 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 0.24 110.712 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.18 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.17 110.743 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.26 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 2.91 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 100' ' ' LEU . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 0.16 110.481 169.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.35 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.25 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.57 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 0.41 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 0.29 110.679 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.2 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.66 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.079 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 49' ' ' ALA . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.23 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 61' ' ' VAL . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 0.15 110.17 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 0.95 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 0.21 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 0.22 110.976 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.31 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.24 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PRO . . . . . 0.438 ' CG ' HD13 ' B' ' 115' ' ' ILE . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.842 HG21 ' CA ' ' B' ' 111' ' ' GLY . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 0.51 111.482 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.56 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 0.75 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 0.19 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 0.21 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.18 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 0.98 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.868 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 79' ' ' VAL . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.01 110.673 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.25 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.39 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 0.23 110.624 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 0.16 110.511 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.08 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 0.93 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 177.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.471 ' OG ' HG11 ' A' ' 94' ' ' VAL . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.794 174.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.66 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.965 -174.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.19 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.18 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 86' ' ' ASN . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 0.21 110.771 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.19 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.14 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.11 110.638 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 0.15 110.304 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.61 HD22 HG12 ' B' ' 36' ' ' VAL . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 0.18 110.791 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' CYS . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 0.13 110.017 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 0.1 110.824 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' B' ' 100' ' ' LEU . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 0.23 111.815 -172.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 0.48 110.921 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 0.13 109.845 174.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 0.09 110.001 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.774 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.27 111.338 -176.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 0.15 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 0.11 111.253 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 103' ' ' VAL . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 0.12 110.089 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.14 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 0.16 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 0.16 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.85 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.28 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.14 111.124 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.09 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.432 HD13 ' CG ' ' B' ' 65' ' ' PRO . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.13 110.348 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.06 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.402 HG21 ' CG1' ' B' ' 57' ' ' VAL . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.461 -177.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.67 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 1.26 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.21 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 0.18 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.17 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.12 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 1.22 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.624 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 0.21 110.399 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.64 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 0.44 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' B' ' 104' ' ' SER . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 0.16 110.667 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.24 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.736 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 0.23 110.592 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 0.27 110.994 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.28 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 0.36 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.3 mm? . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 0.87 111.911 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 0.32 110.201 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.736 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 0.24 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 0.24 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 0.18 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 0.17 110.677 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.26 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 2.91 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.758 HD22 HD12 ' B' ' 100' ' ' LEU . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 0.16 110.2 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.35 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.25 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.58 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 0.41 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.29 110.728 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.2 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.37 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.675 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 1.87 111.001 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.263 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.23 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 0.18 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 0.15 110.258 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.23 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 0.21 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.22 110.984 -175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.31 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.24 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' PRO . . . . . 0.432 ' CG ' HD13 ' A' ' 115' ' ' ILE . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.85 HG21 ' CA ' ' A' ' 111' ' ' GLY . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 0.51 111.442 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.56 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 0.75 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 0.21 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 0.25 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.18 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 0.98 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 0.29 110.869 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.653 ' O ' HG23 ' B' ' 79' ' ' VAL . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.636 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.25 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.726 ' O ' HG23 ' B' ' 82' ' ' VAL . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.613 -176.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.592 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.08 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.93 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 0.22 110.365 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' SER . . . . . 0.464 ' OG ' HG11 ' B' ' 94' ' ' VAL . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.19 110.636 174.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.27 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.672 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.23 110.894 -174.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.19 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.18 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' B' ' 86' ' ' ASN . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 0.21 110.877 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.19 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.14 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.624 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.11 110.604 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' VAL . . . . . 0.464 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 0.15 110.193 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 36' ' ' VAL . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.18 110.703 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 92' ' ' CYS . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 0.13 109.994 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.502 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.762 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.1 110.752 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 0.23 111.687 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 0.48 111.05 -175.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 0.13 109.721 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 0.09 109.825 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.754 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.27 111.285 -176.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 0.15 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 0.11 111.076 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 0.12 110.138 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.14 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 0.16 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 0.16 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.842 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.28 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.14 111.147 -175.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.09 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 65' ' ' PRO . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 0.13 110.344 -176.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.06 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.21 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.67 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 1.26 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.21 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 0.18 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.17 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 1.22 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.627 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 0.21 110.324 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 0.44 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 0.16 110.603 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 131' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.24 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.402 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 0.27 111.018 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.28 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 0.36 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.569 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.3 mm? . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 0.87 111.812 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.31 110.247 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.24 110.839 178.359 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.14 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 0.24 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.18 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 0.17 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.26 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 2.91 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 0.16 110.458 172.419 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.35 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.25 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.57 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 0.41 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 0.29 110.75 -178.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.2 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' A' ' 82' ' ' VAL . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.032 178.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' ALA . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 0.21 110.01 176.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.19 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.23 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 0.18 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 0.15 110.063 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.23 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.21 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 0.22 110.934 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.31 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.24 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.721 HG21 ' N ' ' B' ' 111' ' ' GLY . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 0.51 111.429 -176.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.568 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.56 110.443 176.587 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 0.75 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 0.19 110.448 179.315 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 129' ' ' MET . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.25 110.68 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.18 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 0.98 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.974 -176.013 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.01 110.776 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.25 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.39 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.23 110.551 -175.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.16 110.545 -177.461 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.08 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 0.22 110.381 178.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.27 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.575 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.23 111.058 -175.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.19 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.18 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.21 110.72 -177.235 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.14 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.11 110.669 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 0.15 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.944 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 0.13 110.136 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.963 -179.056 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 0.23 111.685 -172.744 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 0.48 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 0.13 110.002 173.633 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.114 178.122 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.659 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.27 111.367 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 0.15 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 0.11 111.161 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 0.12 110.248 176.214 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.14 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 0.16 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 0.16 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' GLY . . . . . 0.733 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.28 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.14 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.09 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.13 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.06 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.21 110.349 -178.007 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.21 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 0.18 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.17 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 0.19 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.12 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 1.22 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.56 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 0.21 110.448 174.065 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.64 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 71' ' ' LEU . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 0.44 110.862 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.66 -177.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.24 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 0.23 110.526 178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 0.27 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.28 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 0.87 112.176 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 0.32 110.232 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ALA . . . . . 0.754 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.24 110.87 178.334 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.14 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 0.24 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.18 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 0.17 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.26 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 2.91 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 0.16 110.321 172.302 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.25 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.58 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 0.41 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' ALA . . . . . 0.609 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 0.29 110.789 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.2 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 1.87 111.027 178.715 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.618 ' O ' HG23 ' B' ' 57' ' ' VAL . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 0.21 110.079 176.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.19 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.23 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 0.18 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.634 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.15 110.094 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.95 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 0.21 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 57' ' ' VAL . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 0.22 110.982 -175.703 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.31 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.24 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.733 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 0.51 111.323 -176.701 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.56 110.415 176.563 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 0.75 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.575 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 0.19 110.547 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 0.25 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.18 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 0.98 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' THR . . . . . 0.638 ' O ' HG23 ' B' ' 78' ' ' VAL . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 0.29 110.979 -175.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.62 ' O ' HG23 ' B' ' 79' ' ' VAL . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.01 110.79 -177.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.25 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.39 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.23 110.617 -175.857 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 79' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 0.16 110.579 -177.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.93 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 0.22 110.33 178.517 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.19 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 0.29 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.27 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.23 110.855 -174.83 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.19 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.21 110.843 -177.402 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.14 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 92' ' ' CYS . . . . . 0.596 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.11 110.668 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.676 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 0.18 110.798 -179.428 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 96' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 0.13 110.197 178.776 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 97' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.1 110.987 -178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 99' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 0.23 111.525 -173.011 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 0.48 111.012 -176.233 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 0.13 109.853 173.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 103' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 0.09 109.979 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 104' ' ' SER . . . . . 0.654 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.226 -178.451 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 0.15 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 106' ' ' LEU . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.11 110.982 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 107' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 103' ' ' VAL . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 0.12 110.142 176.343 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.14 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 0.16 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 111' ' ' GLY . . . . . 0.721 ' N ' HG21 ' A' ' 66' ' ' THR . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.28 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.14 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.09 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 0.13 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' ILE . . . . . 0.511 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.21 110.341 -178.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.67 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 1.26 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.21 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 0.18 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.17 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 0.19 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.12 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 1.22 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 127' ' ' THR . . . . . 0.553 ' OG1' HG11 ' A' ' 53' ' ' VAL . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.376 174.057 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.64 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 0.44 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 130' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.16 110.608 -177.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 134' ' ' VAL . . . . . 0.741 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 0.24 110.459 178.533 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 0.27 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.28 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.36 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 138' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 0.87 112.153 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.377 -0.601 . . . . 37.47 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.04 31.44 3.61 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.261 -0.427 . . . . 36.35 110.878 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -65.38 -35.43 80.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.431 -0.35 . . . . 35.47 110.879 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -111.99 162.49 15.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.294 -0.412 . . . . 35.94 110.568 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 5' ' ' THR . 8.1 m 59.63 34.77 22.33 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.24 -0.436 . . . . 34.67 110.985 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.68 127.49 1.57 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.951 -0.86 . . . . 33.88 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.71 -34.5 90.08 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.23 -0.748 . . . . 33.34 111.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -86.26 149.41 25.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.717 0.294 . . . . 34.66 110.597 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.91 160.88 38.92 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.48 . . . . 32.36 110.599 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.2 mtm -128.92 142.03 51.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.29 -0.414 . . . . 32.94 110.629 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.3 35.0 0.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.06 -0.816 . . . . 31.2 111.06 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -66.0 -35.8 81.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.633 0.254 . . . . 30.1 110.799 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.93 44.53 3.84 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.889 . . . . 28.69 110.876 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.5 p -100.3 32.55 2.97 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.741 0.305 . . . . 27.33 110.827 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.4 mtm 59.46 31.14 20.84 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.414 -0.357 . . . . 26.98 111.301 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.54 -161.33 51.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.011 -0.836 . . . . 25.15 111.011 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.87 153.42 41.56 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.646 0.26 . . . . 24.38 110.454 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 130.44 38.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.221 -0.445 . . . . 23.5 110.64 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -160.02 111.17 1.94 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 22.08 110.613 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.87 88.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.229 -0.441 . . . . 20.75 111.133 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.81 153.0 23.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.098 -0.501 . . . . 18.97 110.559 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -119.97 125.47 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.29 -0.414 . . . . 17.74 110.125 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.8 m -157.64 151.9 24.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.144 -0.48 . . . . 14.19 110.504 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.48 123.97 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 13.07 110.149 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.6 79.94 0.13 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.383 -0.687 . . . . 10.14 111.383 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.75 -71.83 0.14 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.174 -0.77 . . . . 9.05 111.174 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -100.32 29.07 4.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.58 0.229 . . . . 12.03 111.195 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.65 88.44 0.07 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.036 -0.826 . . . . 7.05 111.036 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.99 158.74 56.04 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.722 1.615 . . . . 5.77 112.078 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 61.69 84.3 0.14 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 7.81 110.975 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.6 t -67.02 169.38 8.44 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.97 -0.559 . . . . 2.79 110.488 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -154.25 79.91 1.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 1.95 110.704 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.86 -60.66 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.986 -0.552 . . . . 0.76 110.273 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.02 -57.94 10.24 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.087 -0.506 . . . . 0.49 111.276 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 31.5 Cg_endo -60.3 -17.64 47.97 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.407 1.405 . . . . 0.49 112.823 -166.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.45 -53.07 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 0.32 110.329 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.986 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 0.21 110.732 177.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.34 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 0.31 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 0.22 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 0.2 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.24 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 0.44 110.4 169.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.29 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.21 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.44 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 0.16 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.15 110.749 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.665 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.19 111.128 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.684 HG11 ' OG1' ' B' ' 127' ' ' THR . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 0.15 110.044 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 0.7 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 0.15 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 0.18 110.214 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.23 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.29 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 0.25 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 0.21 110.96 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.1 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.27 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.22 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.34 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.746 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 0.7 111.64 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.1 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.09 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 0.29 110.81 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 0.38 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.25 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.28 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 0.32 110.941 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.04 110.655 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.29 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 0.16 110.625 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 0.16 110.508 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.16 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.06 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 0.18 110.443 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.21 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.23 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.2 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.577 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.25 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.25 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 86' ' ' ASN . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 0.22 110.883 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.16 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.14 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 0.14 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.6 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 0.15 110.986 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 0.12 110.279 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.22 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.1 110.953 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.544 HD22 ' CB ' ' B' ' 100' ' ' LEU . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 0.18 111.642 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 0.34 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 98' ' ' ALA . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 0.12 110.008 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' B' ' 103' ' ' VAL . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.09 109.867 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.33 111.306 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 0.15 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.57 ' HB2' HD13 ' B' ' 106' ' ' LEU . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 0.12 111.212 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 103' ' ' VAL . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 0.15 110.149 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.16 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.17 110.448 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 0.21 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.749 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.29 111.265 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.23 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.15 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.21 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 0.65 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 1.85 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.35 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 1.17 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 0.23 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.27 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 0.22 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.4 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 1.23 110.913 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.689 ' OG1' HG11 ' B' ' 53' ' ' VAL . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.23 110.449 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 1.62 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 0.23 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.15 110.699 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.15 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.25 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 0.18 110.498 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.2 111.136 -175.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.01 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 0.38 111.406 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 1.009 HD22 ' HB3' ' B' ' 37' ' ' ALA . 5.9 mp -94.01 -8.36 40.1 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.03 112.064 -176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.34 -36.36 66.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.624 0.249 . . . . 1.62 110.583 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.002 -1.444 . . . . 2.86 110.925 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.401 -0.592 . . . . 40.71 109.401 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.62 98.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.238 -0.437 . . . . 38.74 111.002 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -69.25 156.98 37.85 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.222 -0.444 . . . . 37.58 110.63 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mtp -94.14 152.54 18.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.185 -0.461 . . . . 36.77 110.518 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -132.35 162.06 32.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.21 -0.45 . . . . 35.19 110.644 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.8 153.56 52.97 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.969 -0.853 . . . . 34.04 110.969 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.81 -34.04 88.83 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.335 -0.706 . . . . 32.91 111.335 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -139.96 170.71 15.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.718 0.294 . . . . 33.71 110.762 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.26 106.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.161 -0.472 . . . . 31.99 110.981 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.06 -167.97 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.636 0.585 . . . . 30.19 112.441 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.68 38.89 11.21 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.017 -0.833 . . . . 29.26 111.017 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.82 147.56 52.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.601 0.239 . . . . 29.88 110.607 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.32 179.81 53.06 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.007 -0.837 . . . . 27.91 111.007 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -146.9 164.42 32.97 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.629 0.252 . . . . 27.35 110.586 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtt 59.05 104.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.213 -0.449 . . . . 26.19 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.77 179.47 47.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 23.98 110.974 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.17 30.21 19.93 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.695 0.283 . . . . 22.72 111.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.79 105.58 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.44 -0.345 . . . . 21.49 110.64 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.0 p -66.27 -34.55 78.25 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.253 -0.43 . . . . 21.12 110.836 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.2 27.33 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.286 -0.416 . . . . 19.9 110.505 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.34 131.14 46.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.248 -0.433 . . . . 18.57 110.555 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.51 30.08 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.222 -0.445 . . . . 16.68 110.986 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -124.73 148.09 48.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.453 -0.34 . . . . 14.68 110.619 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -115.44 134.49 58.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.204 -0.453 . . . . 13.37 110.048 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.25 -160.66 12.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.001 -0.84 . . . . 11.78 111.001 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 -87.75 0.47 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.985 -0.846 . . . . 10.38 110.985 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -93.19 133.6 36.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.676 0.274 . . . . 11.86 110.579 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.06 176.5 33.52 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.085 -0.806 . . . . 7.68 111.085 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.9 162.6 34.37 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.802 1.668 . . . . 6.85 111.991 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -134.89 162.18 33.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.184 -0.462 . . . . 7.86 110.669 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -142.19 -49.53 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.21 -0.45 . . . . 5.2 110.572 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -115.84 148.35 40.03 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.245 -0.434 . . . . 3.86 110.457 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -73.35 91.6 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.218 -0.446 . . . . 1.69 110.574 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.75 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -81.62 -58.09 0.5 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.149 -0.478 . . . . 0.49 111.295 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 30.4 Cg_endo -60.24 -17.74 48.08 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.398 1.398 . . . . 0.49 112.782 -166.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.38 -52.98 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 0.32 110.323 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 1.009 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 0.21 110.696 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 0.31 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 0.22 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 0.2 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.18 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.24 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 0.44 110.155 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.29 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.21 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.44 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 0.16 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.68 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 0.15 110.768 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.2 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.26 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.19 111.06 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.689 HG11 ' OG1' ' A' ' 127' ' ' THR . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.15 110.084 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.08 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 0.7 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.15 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.6 ' O ' HG23 ' B' ' 61' ' ' VAL . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 0.18 110.228 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.29 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 0.25 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 57' ' ' VAL . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 0.21 110.875 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.27 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.22 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.34 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.749 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 0.7 111.526 -173.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.1 110.738 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.09 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 0.29 110.835 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 0.29 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.38 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.25 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.28 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 0.32 110.925 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.04 110.748 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.29 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.2 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.72 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.16 110.601 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 0.16 110.613 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.16 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.06 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 0.18 110.435 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.21 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.23 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.2 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.25 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.25 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' B' ' 86' ' ' ASN . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 0.22 110.955 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.16 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.14 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.58 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 0.14 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 37' ' ' ALA . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.15 110.913 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 0.12 110.36 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.568 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.22 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.54 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 0.18 111.511 -172.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.544 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 0.35 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 98' ' ' ALA . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 0.12 109.811 174.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 103' ' ' VAL . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 0.09 109.75 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.724 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.33 111.285 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 0.15 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 106' ' ' LEU . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 0.12 111.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 0.15 110.121 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.16 110.75 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 0.17 110.379 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.746 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.29 111.234 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.23 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.15 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.22 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.65 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 1.85 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.14 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.35 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 0.23 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.27 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.4 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.684 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.23 110.326 173.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 1.62 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 0.23 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.16 110.589 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.15 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.25 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.752 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 0.18 110.48 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.08 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.01 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 0.38 111.277 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 37' ' ' ALA . 5.9 mp -93.59 -9.16 39.04 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.03 111.959 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.81 -36.23 67.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.644 0.259 . . . . 1.62 110.661 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.94 110.924 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.353 -0.61 . . . . 36.65 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.34 79.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.143 -0.481 . . . . 37.14 110.742 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -116.82 149.87 39.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.255 -0.429 . . . . 36.26 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -87.44 136.54 32.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.162 -0.472 . . . . 36.12 110.569 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -66.08 -37.4 85.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 35.35 110.648 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.26 -177.57 35.4 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 34.84 110.879 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.9 -173.31 45.83 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.957 -0.857 . . . . 34.37 110.957 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -88.83 123.7 33.47 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.585 0.231 . . . . 34.86 110.441 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -119.44 139.93 51.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 33.57 110.592 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -138.5 144.24 39.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.13 -0.486 . . . . 32.05 110.475 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.21 -164.11 47.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.935 -0.866 . . . . 30.8 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -125.26 150.03 47.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.681 0.277 . . . . 30.94 110.468 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.23 112.35 0.52 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.895 -0.882 . . . . 29.08 110.895 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -141.09 147.42 38.5 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.633 0.254 . . . . 27.99 110.525 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.71 -35.44 81.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.217 -0.447 . . . . 27.87 110.824 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.11 167.92 24.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.864 -0.894 . . . . 26.05 110.864 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.63 83.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.585 0.231 . . . . 24.72 110.701 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.27 35.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.241 -0.436 . . . . 23.32 110.702 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.18 133.95 39.62 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.271 -0.422 . . . . 22.02 110.608 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -69.05 -40.29 78.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.244 -0.435 . . . . 21.23 110.618 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.18 32.81 21.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.174 -0.466 . . . . 19.47 111.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ALA . 22.5 t -122.23 137.53 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.298 -0.41 . . . . 17.85 110.076 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -95.67 153.96 17.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.27 -0.423 . . . . 14.96 110.467 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.18 135.91 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.131 -0.486 . . . . 14.71 110.151 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.29 -121.03 12.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.996 -0.842 . . . . 11.62 110.996 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.73 53.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.87 -0.892 . . . . 9.69 110.87 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -101.48 30.43 4.26 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.643 0.258 . . . . 14.31 110.869 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.78 71.26 1.22 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.938 -0.865 . . . . 7.32 110.938 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.3 147.7 78.68 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.728 1.618 . . . . 5.74 111.987 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -98.46 45.27 1.01 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.091 0.472 . . . . 8.09 110.543 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t 59.21 170.71 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.911 -0.586 . . . . 3.07 111.124 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -114.99 40.16 2.7 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.214 0.53 . . . . 2.27 110.474 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -78.47 -29.08 46.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.613 -0.721 . . . . 0.79 111.1 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -55.76 -59.3 11.86 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.486 -0.325 . . . . 0.47 111.587 -177.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 21.0 Cg_endo -61.59 -25.11 78.89 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.367 1.378 . . . . 0.44 112.609 -173.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 95' ' ' LEU . 24.7 t -63.24 -47.87 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 0.31 110.245 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' B' ' 95' ' ' LEU . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 0.24 110.768 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.14 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 0.24 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 0.17 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.26 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 2.91 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 0.16 110.259 168.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.35 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.25 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.57 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.41 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.671 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.2 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.37 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.666 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 1.87 111.105 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 0.21 109.94 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.182 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 0.95 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.23 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.21 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 0.22 110.939 -176.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.31 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.24 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.807 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 0.51 111.64 -174.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.56 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 0.75 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.18 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 0.98 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 0.29 110.891 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' VAL . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.645 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.25 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.39 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.23 110.7 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 0.16 110.459 -177.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.08 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 0.22 110.37 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.19 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 0.29 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.27 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.556 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.938 -174.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.19 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.21 110.696 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.14 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.685 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 0.18 110.915 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 0.13 110.024 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.1 111.005 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 0.23 111.714 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.48 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 0.13 109.888 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.091 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.746 ' HA ' HG21 ' B' ' 130' ' ' VAL . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.34 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 0.15 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.562 ' HB2' HD13 ' B' ' 106' ' ' LEU . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 0.11 111.188 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 0.12 110.207 176.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.14 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 0.16 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 0.16 111.346 -177.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.812 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.28 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.14 110.814 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.09 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.13 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.06 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.473 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.67 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.21 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 0.18 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.17 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.12 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.467 ' CG2' HG21 ' B' ' 53' ' ' VAL . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.624 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.64 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 0.44 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.67 -177.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.24 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.758 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 0.23 110.5 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HB3' ' A' ' 139' ' ' ALA . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 0.27 111.292 -176.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 0.36 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.73 ' O ' ' HB1' ' B' ' 34' ' ' ALA . 10.5 mp -101.14 14.29 32.43 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 0.87 112.206 -175.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 135' ' ' ALA . . . -161.4 -46.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.569 0.223 . . . . 1.16 110.751 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.011 -1.438 . . . . 2.62 110.882 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.358 -0.608 . . . . 33.16 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.8 -34.87 78.77 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.207 -0.451 . . . . 32.82 110.805 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -103.44 144.45 31.38 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.329 -0.396 . . . . 32.83 110.598 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -97.84 163.2 12.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 34.46 110.585 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -77.79 168.38 20.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.193 -0.458 . . . . 31.75 110.584 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.28 -156.23 22.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.915 -0.874 . . . . 30.32 110.915 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.77 149.53 51.39 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.032 -0.827 . . . . 29.16 111.032 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.81 -36.51 84.57 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.608 0.242 . . . . 29.37 110.948 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -167.72 -64.49 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.221 -0.445 . . . . 29.22 110.625 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 15.8 ttt -125.84 38.24 4.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.219 -0.446 . . . . 27.3 110.439 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.28 34.94 5.14 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.081 -0.807 . . . . 26.28 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.616 0.246 . . . . 27.96 110.709 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.98 -175.49 51.05 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.97 -0.852 . . . . 25.39 110.97 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 95.1 p -115.13 153.48 30.7 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 25.26 110.508 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.05 -35.96 82.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.158 -0.474 . . . . 25.89 110.926 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 -166.52 40.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 24.22 110.952 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.81 135.21 36.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.633 0.254 . . . . 23.68 110.547 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.04 157.56 42.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 22.43 110.611 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.4 p -111.43 150.79 29.34 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.292 -0.413 . . . . 21.41 110.512 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . -150.3 160.26 43.84 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.245 -0.434 . . . . 20.15 110.651 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 20' ' ' ALA . . . 67.78 -68.8 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.195 -0.457 . . . . 19.42 110.991 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.35 156.47 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.596 -0.274 . . . . 18.26 110.723 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -122.29 150.19 42.69 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.205 -0.452 . . . . 17.23 110.451 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -109.0 134.1 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.204 -0.453 . . . . 16.38 110.111 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.56 -37.09 3.74 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.979 -0.849 . . . . 14.42 110.979 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.13 173.87 13.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.904 -0.879 . . . . 12.9 110.904 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -138.91 145.65 40.13 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.65 0.262 . . . . 12.61 110.518 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.55 -165.47 47.29 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.975 -0.85 . . . . 8.77 110.975 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.66 149.68 57.39 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.954 1.769 . . . . 7.53 112.317 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.12 -35.48 80.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.181 -0.463 . . . . 8.51 110.957 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -119.91 147.6 44.52 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.238 -0.437 . . . . 5.0 110.504 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.1 p -143.03 164.44 30.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.135 -0.484 . . . . 3.86 110.439 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -67.55 143.22 56.22 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.724 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -179.74 -60.68 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.286 -0.416 . . . . 0.47 111.029 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 20.4 Cg_endo -61.0 -25.3 81.3 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.554 1.503 . . . . 0.44 112.532 -173.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 95' ' ' LEU . 24.6 t -63.17 -47.8 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 0.32 110.309 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.853 ' HB2' HD11 ' A' ' 95' ' ' LEU . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 0.24 110.709 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.14 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 0.18 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.17 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.26 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 2.91 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 0.16 110.159 168.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.35 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.25 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.58 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 0.41 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 0.29 110.721 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.2 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.684 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 1.87 111.097 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 0.21 109.979 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.19 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.23 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 0.18 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.609 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 0.15 110.154 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 0.95 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.23 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 0.21 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.22 110.931 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.31 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.24 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.812 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 0.51 111.621 -174.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 0.75 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 0.25 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.18 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 0.98 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.64 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.836 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' B' ' 79' ' ' VAL . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.7 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.25 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.39 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 0.23 110.668 -175.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 0.16 110.548 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.08 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 0.93 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 0.22 110.397 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.19 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 0.29 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.27 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.581 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.23 110.829 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.19 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.18 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 0.21 110.875 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.19 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.14 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.11 110.725 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.18 110.864 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 0.13 110.043 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.584 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.1 110.976 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 0.23 111.503 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 0.48 110.989 -176.401 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 0.13 109.672 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 0.09 109.93 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' A' ' 130' ' ' VAL . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.27 111.307 -177.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 0.15 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 106' ' ' LEU . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 0.11 111.08 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.14 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 0.16 110.469 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.449 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 0.16 111.289 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.807 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.28 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.449 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.14 110.831 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.09 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.21 110.469 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.67 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 1.26 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.21 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 0.18 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.17 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 0.19 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.12 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 1.22 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 53' ' ' VAL . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.478 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 0.44 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.539 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.44 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 0.24 110.445 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' B' ' 139' ' ' ALA . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 0.27 111.115 -175.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.28 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 0.36 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.723 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 10.6 mp -101.2 14.6 31.45 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 0.87 112.125 -175.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 135' ' ' ALA . . . -161.73 -46.73 0.04 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.621 0.248 . . . . 1.16 110.561 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.881 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.382 -0.599 . . . . 36.65 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.98 30.51 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.166 -0.47 . . . . 37.14 110.609 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -135.63 154.71 51.23 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.12 -0.491 . . . . 36.26 110.513 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -92.0 -66.55 0.92 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.156 -0.474 . . . . 36.12 110.637 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -66.89 -38.76 86.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.255 -0.43 . . . . 35.35 110.632 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.6 -144.92 13.92 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.885 -0.886 . . . . 34.84 110.885 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -177.54 37.51 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.918 -0.873 . . . . 34.37 110.918 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.5 39.64 17.95 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.952 0.406 . . . . 34.86 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -65.16 -36.0 82.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.028 -0.533 . . . . 33.57 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.2 mtt -122.37 145.95 47.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.24 -0.436 . . . . 32.05 110.524 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.8 94.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.15 -0.78 . . . . 30.8 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -65.62 -37.78 87.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.705 0.288 . . . . 30.94 110.649 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.08 -177.07 51.83 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.975 -0.85 . . . . 29.08 110.975 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t 63.26 128.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.767 0.318 . . . . 27.99 110.926 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -64.56 -36.92 85.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.112 -0.495 . . . . 27.87 110.858 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.43 36.77 59.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.835 . . . . 26.05 111.014 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 154.52 43.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.59 0.233 . . . . 24.72 110.638 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.7 35.65 0.7 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 23.32 110.586 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -107.0 142.56 36.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.194 -0.457 . . . . 22.02 110.537 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.03 81.27 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.223 -0.444 . . . . 21.23 110.771 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.59 153.48 40.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.3 -0.409 . . . . 19.47 110.602 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -122.34 136.83 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.225 -0.443 . . . . 17.85 110.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.9 t -109.14 141.61 41.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.207 -0.451 . . . . 14.96 110.517 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -118.84 133.83 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.215 -0.448 . . . . 14.71 110.091 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -173.17 51.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.003 -0.839 . . . . 11.62 111.003 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.23 37.31 0.14 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.957 -0.857 . . . . 9.69 110.957 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.8 31.03 6.49 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.671 0.272 . . . . 14.31 110.901 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.88 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.871 -0.892 . . . . 7.32 110.871 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.34 -176.83 1.78 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.831 1.687 . . . . 5.74 112.157 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.89 45.2 9.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.151 0.5 . . . . 8.09 110.906 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 t 58.5 171.69 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.896 -0.593 . . . . 3.07 111.253 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.1 m -101.82 41.85 1.18 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.168 0.509 . . . . 2.27 110.358 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -66.68 -31.57 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 0.79 111.19 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -58.34 -59.29 13.9 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.557 -176.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -56.48 -23.52 48.07 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.534 1.489 . . . . 0.44 112.633 -176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 95' ' ' LEU . 25.4 t -65.18 -49.12 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 0.31 110.058 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 0.24 110.807 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.14 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 0.24 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 0.18 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 0.17 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.26 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 2.91 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 127' ' ' THR . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 0.16 110.601 172.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.35 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.25 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.57 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 0.41 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 0.29 110.75 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.2 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.093 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 0.21 109.919 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.19 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.18 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.15 110.17 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 0.95 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.23 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD23 ' A' ' 71' ' ' LEU . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 0.21 111.037 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.22 110.997 -175.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.31 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.24 110.956 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 0.51 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.56 110.875 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 0.75 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.19 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 0.21 110.776 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 60' ' ' LEU . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 0.25 110.811 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.18 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 0.29 110.792 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.01 110.643 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.25 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.39 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 0.23 110.642 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 0.16 110.508 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.08 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 0.93 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 0.22 110.398 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.19 110.836 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.29 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.27 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.598 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.23 110.962 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.19 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 0.21 110.762 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.19 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.566 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.11 110.653 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 0.15 110.363 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' B' ' 37' ' ' ALA . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.884 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 0.13 110.071 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB3' HG11 ' A' ' 82' ' ' VAL . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.1 111.021 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 0.23 111.732 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 0.48 110.525 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 0.13 109.922 173.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' B' ' 103' ' ' VAL . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 0.09 109.985 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.74 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.27 111.408 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 0.15 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 0.11 111.277 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 103' ' ' VAL . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 0.12 110.194 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.14 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.16 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' B' ' 106' ' ' LEU . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.356 -176.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.28 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.14 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.09 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.13 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.06 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.21 110.394 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.67 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 1.26 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 0.18 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.17 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 1.22 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.464 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 0.21 110.461 174.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.64 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 0.44 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.716 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.16 110.791 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.428 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.24 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 0.23 110.39 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 0.27 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.28 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 0.36 111.409 -173.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.9 mp -98.5 -8.17 27.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 0.87 112.108 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.5 51.26 0.35 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.031 0.443 . . . . 1.16 110.517 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.899 179.212 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 33.16 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.86 104.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.265 -0.425 . . . . 32.82 111.07 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -121.54 132.65 54.82 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.237 -0.438 . . . . 32.83 110.503 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.44 -38.85 85.16 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.26 -0.427 . . . . 34.46 110.708 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 78.5 p -130.66 160.15 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 31.75 110.634 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.43 -173.04 44.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.967 -0.853 . . . . 30.32 110.967 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.29 168.94 37.48 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.958 -0.857 . . . . 29.16 110.958 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.9 -35.86 81.79 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.594 0.235 . . . . 29.37 110.878 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -93.11 108.07 19.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 29.22 110.487 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.49 -35.63 79.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 27.3 110.807 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.95 -33.51 6.45 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.037 -0.825 . . . . 26.28 111.037 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -121.76 151.03 40.99 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.611 0.243 . . . . 27.96 110.448 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.03 67.53 1.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 25.39 110.987 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 59.19 174.5 0.07 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.755 0.312 . . . . 25.26 111.052 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.4 mmm -113.96 144.95 42.23 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.149 -0.478 . . . . 25.89 110.468 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.13 174.61 13.8 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 24.22 110.815 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.84 147.77 30.15 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.635 0.255 . . . . 23.68 110.649 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.27 77.8 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.205 -0.452 . . . . 22.43 110.768 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -113.22 154.63 26.42 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.328 -0.397 . . . . 21.41 110.584 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.43 75.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.249 -0.432 . . . . 20.15 110.913 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 -179.0 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.432 -0.349 . . . . 19.42 111.02 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -95.04 136.65 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.293 -0.412 . . . . 18.26 110.074 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -133.22 163.84 28.4 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.114 -0.494 . . . . 17.23 110.562 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.19 144.89 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.297 -0.41 . . . . 16.38 110.311 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.03 -35.83 3.66 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.894 -0.882 . . . . 14.42 110.894 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.72 177.95 47.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.999 -0.84 . . . . 12.9 110.999 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -140.34 147.17 39.43 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.69 0.281 . . . . 12.61 110.464 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.04 154.22 6.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 8.77 110.984 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.22 144.07 91.72 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.971 1.781 . . . . 7.53 112.175 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 59.12 -178.44 0.08 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.203 -0.453 . . . . 8.51 111.0 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -114.55 150.79 34.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.331 -0.395 . . . . 5.0 110.489 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -129.72 144.94 51.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.171 -0.468 . . . . 3.86 110.512 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -68.22 142.95 55.49 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.608 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.688 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.52 -60.21 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.142 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.503 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.4 Cg_endo -56.02 -23.74 45.29 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 121.612 1.541 . . . . 0.44 112.608 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 95' ' ' LEU . 25.0 t -65.02 -49.03 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 0.32 110.104 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.731 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 0.24 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 0.17 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.26 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 2.91 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 127' ' ' THR . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 0.16 110.41 172.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.35 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.25 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.58 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 0.41 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.848 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.2 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.37 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 1.87 111.022 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 0.21 109.951 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 0.15 110.26 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.23 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 HD23 ' B' ' 71' ' ' LEU . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.998 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 0.22 110.943 -175.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.31 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' SER . . . . . 0.451 ' HB3' ' HB2' ' B' ' 70' ' ' ALA . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.24 110.925 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 0.51 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' B' ' 70' ' ' ALA . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.56 110.674 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 0.75 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 0.19 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 67' ' ' ASN . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 0.21 110.776 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.494 HD23 HD21 ' B' ' 60' ' ' LEU . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 0.25 110.757 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.18 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.98 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.29 110.783 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.657 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.01 110.708 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.25 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.39 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 0.23 110.619 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 0.16 110.571 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.08 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 0.93 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 0.22 110.398 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.654 174.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 0.29 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.27 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.613 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.894 -174.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.19 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.18 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.21 110.865 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.19 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.11 110.666 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 0.15 110.312 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.18 110.716 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.13 110.071 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.1 110.878 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 0.23 111.519 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 0.48 110.979 -176.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 0.13 109.821 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 103' ' ' VAL . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 0.09 109.882 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.716 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.27 111.369 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 0.15 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 106' ' ' LEU . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.11 111.121 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 0.12 110.149 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.14 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 0.16 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 106' ' ' LEU . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 0.16 111.368 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.28 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.14 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.09 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.13 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.06 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.529 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.21 110.407 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 1.26 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.21 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 0.18 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.17 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 0.19 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.12 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 1.22 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.452 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 0.21 110.361 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.64 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' MET . . . . . 0.407 ' HE2' ' HB3' ' B' ' 129' ' ' MET . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 0.44 110.906 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 104' ' ' SER . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 0.16 110.692 -176.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.765 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 0.24 110.374 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 0.27 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.498 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.258 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.9 mp -98.1 -8.71 27.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 0.87 112.036 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.03 0.38 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.1 0.476 . . . . 1.16 110.555 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 118.018 -1.434 . . . . 2.35 110.979 179.026 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.325 -0.62 . . . . 36.65 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.21 122.1 26.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.248 -0.433 . . . . 37.14 110.56 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -67.28 -32.98 74.35 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.215 -0.448 . . . . 36.26 111.004 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -91.95 165.37 13.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.376 -0.374 . . . . 36.12 110.651 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p 50.22 31.94 5.62 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.169 -0.469 . . . . 35.35 111.575 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -36.19 4.04 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 34.84 110.9 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 -172.93 26.39 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.37 110.88 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -90.28 127.82 36.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.671 0.272 . . . . 34.86 110.607 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.99 154.12 45.01 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.15 -0.477 . . . . 33.57 110.496 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.3 mtm -104.73 141.19 36.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.229 -0.442 . . . . 32.05 110.562 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -179.61 50.17 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.997 -0.841 . . . . 30.8 110.997 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.67 165.82 35.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.575 0.226 . . . . 30.94 110.651 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.87 59.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.976 -0.85 . . . . 29.08 110.976 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 162.17 29.85 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.707 0.289 . . . . 27.99 110.488 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.9 ttp -93.23 134.74 35.12 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.185 -0.461 . . . . 27.87 110.538 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.0 -169.04 31.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.936 -0.866 . . . . 26.05 110.936 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.11 157.85 45.49 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.667 0.27 . . . . 24.72 110.484 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.18 87.61 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.184 -0.462 . . . . 23.32 110.781 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -159.5 118.33 2.86 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.602 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.08 -54.19 0.02 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 21.23 110.608 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.49 178.89 7.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.163 -0.471 . . . . 19.47 110.556 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -98.75 138.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.241 -0.436 . . . . 17.85 110.083 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 t -101.65 150.51 23.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.176 -0.466 . . . . 14.96 110.642 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.34 139.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 14.71 110.305 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 -170.78 31.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.914 -0.874 . . . . 11.62 110.914 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.08 63.82 2.45 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 9.69 110.916 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.13 30.28 3.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.714 0.293 . . . . 14.31 110.99 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 78.84 1.42 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.02 -0.832 . . . . 7.32 111.02 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.04 156.59 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.786 1.658 . . . . 5.74 112.004 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.27 48.31 8.22 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.123 0.487 . . . . 8.09 110.931 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 151.21 47.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.89 -0.595 . . . . 3.07 110.678 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 47.66 1.97 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.099 0.476 . . . . 2.27 110.395 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -80.43 -39.46 28.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.909 -0.587 . . . . 0.79 110.844 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.668 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.01 -59.07 8.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.279 -0.419 . . . . 0.47 111.548 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 29.1 Cg_endo -59.54 -22.78 68.17 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.306 1.337 . . . . 0.44 112.645 -166.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 95' ' ' LEU . 40.6 t -65.78 -49.59 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 0.31 110.015 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 0.24 110.745 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.14 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 0.24 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 0.18 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 0.17 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.26 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 2.91 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 167.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.35 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.25 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.57 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 0.29 110.755 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.2 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.37 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 1.87 111.152 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 0.21 109.963 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.19 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.18 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 0.15 110.18 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 0.95 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.23 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 0.21 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 0.22 110.974 -175.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.31 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.24 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.767 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 0.51 111.463 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.56 110.671 178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 0.75 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.19 110.825 -178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 0.21 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 0.25 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.98 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 0.29 110.835 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 79' ' ' VAL . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.01 110.7 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.25 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.39 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 0.23 110.681 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 75' ' ' ILE . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 0.16 110.448 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.08 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 0.93 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 0.22 110.408 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.19 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.27 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.23 111.002 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.19 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.18 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 86' ' ' ASN . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 0.21 110.726 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.19 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.14 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.584 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 0.18 110.969 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' CYS . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 0.13 110.177 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.532 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 0.1 110.99 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' B' ' 100' ' ' LEU . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 0.23 111.667 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 0.48 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 0.13 109.947 173.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 103' ' ' VAL . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.951 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.729 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.27 111.379 -177.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.15 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 0.11 111.161 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 103' ' ' VAL . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 0.12 110.193 176.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.14 110.843 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 0.16 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 0.16 111.39 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.783 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.28 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.14 110.797 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.09 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.13 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.06 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.389 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.67 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 1.26 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.21 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 0.18 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.17 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 0.19 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.12 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.21 110.387 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 0.44 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.669 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.24 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.795 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 0.23 110.494 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 0.27 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.28 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.318 -173.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.1 mp -97.8 -8.2 28.93 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 0.87 112.059 -176.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.62 51.78 0.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.021 0.439 . . . . 1.16 110.551 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.824 0 CA-C-O 118.042 -1.421 . . . . 2.62 110.977 179.62 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.362 -0.607 . . . . 33.16 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.82 155.44 42.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.226 -0.443 . . . . 32.82 110.587 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -65.62 -30.09 70.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.143 -0.48 . . . . 32.83 111.194 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.32 -33.49 73.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.492 -0.322 . . . . 34.46 111.12 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -63.08 -37.24 86.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.386 -0.37 . . . . 31.75 110.757 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.23 122.11 2.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.018 -0.833 . . . . 30.32 111.018 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 106.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.082 -0.807 . . . . 29.16 111.082 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.55 -36.02 82.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.67 0.271 . . . . 29.37 110.754 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -120.55 158.32 27.58 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.255 -0.43 . . . . 29.22 110.544 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -82.3 139.65 34.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.206 -0.452 . . . . 27.3 110.587 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.37 -69.86 1.21 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 26.28 110.971 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -119.66 143.42 47.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.622 0.249 . . . . 27.96 110.522 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.9 -38.21 94.03 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.082 -0.807 . . . . 25.39 111.082 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -147.1 159.82 43.15 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.67 0.271 . . . . 25.26 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.7 mtp -134.79 165.33 25.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.12 -0.491 . . . . 25.89 110.529 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.86 68.28 1.46 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.981 -0.847 . . . . 24.22 110.981 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.6 84.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.645 0.26 . . . . 23.68 110.738 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.38 144.78 49.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.233 -0.44 . . . . 22.43 110.451 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.6 p -134.98 155.24 51.11 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.349 -0.387 . . . . 21.41 110.542 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.36 152.27 34.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.078 -0.51 . . . . 20.15 110.506 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.33 129.81 43.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.252 -0.431 . . . . 19.42 110.566 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.415 HG12 ' O ' ' B' ' 24' ' ' VAL . 21.3 t -126.85 133.41 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.238 -0.437 . . . . 18.26 110.025 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -66.51 -43.91 83.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.257 -0.429 . . . . 17.23 110.908 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' HG12 ' B' ' 22' ' ' VAL . 29.9 m -136.98 160.47 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.302 -0.408 . . . . 16.38 110.729 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.27 -175.49 14.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.896 -0.882 . . . . 14.42 110.896 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.61 4.57 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.962 -0.855 . . . . 12.9 110.962 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.15 -36.45 84.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.599 0.238 . . . . 12.61 110.841 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.96 165.67 50.63 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.24 135.84 52.59 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 121.708 1.605 . . . . 7.53 111.869 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -66.01 -38.94 89.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.146 -0.479 . . . . 8.51 110.735 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -70.86 148.92 47.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.203 -0.453 . . . . 5.0 110.635 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -147.3 135.27 21.33 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.187 -0.46 . . . . 3.86 110.519 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t -168.72 -44.69 0.02 OUTLIER 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.257 -0.429 . . . . 1.67 110.935 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.689 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -62.05 -59.2 13.82 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.364 -0.38 . . . . 0.47 111.611 -176.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 28.6 Cg_endo -59.23 -23.21 68.58 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.379 1.386 . . . . 0.44 112.584 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.492 HG12 HD22 ' A' ' 95' ' ' LEU . 40.1 t -65.52 -49.47 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 0.32 110.145 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.795 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.597 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 0.18 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 0.17 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.26 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 2.91 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 0.16 110.145 167.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.35 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.25 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.58 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 0.41 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 0.29 110.846 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.2 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 1.87 111.002 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 0.21 109.967 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.19 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.641 ' O ' HG23 ' B' ' 61' ' ' VAL . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 0.15 110.252 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 0.95 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.23 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.21 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 57' ' ' VAL . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.89 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.31 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.24 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.783 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.51 111.494 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.56 110.598 178.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 0.75 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 0.19 110.787 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 0.21 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 0.25 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.18 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.769 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.664 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.01 110.715 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.25 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.39 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.23 110.663 -176.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 0.16 110.555 -177.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.08 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 0.93 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 0.22 110.355 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.19 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 0.29 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.27 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.566 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.23 110.863 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.19 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 86' ' ' ASN . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 0.21 110.815 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.19 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.14 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.525 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.11 110.645 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 0.18 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 92' ' ' CYS . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 0.13 110.153 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.516 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 0.1 110.939 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 0.23 111.531 -173.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 0.48 110.962 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' B' ' 44' ' ' LEU . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 0.13 109.822 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 0.09 109.833 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.721 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.27 111.294 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 0.15 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 0.11 110.964 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 0.12 110.183 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.14 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 0.16 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.16 111.306 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.767 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.28 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.14 110.882 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.09 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.06 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.511 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.21 110.449 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.67 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 1.26 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.21 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 0.18 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.17 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 0.19 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.12 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 1.22 110.805 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.557 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 0.21 110.329 173.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.64 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 0.44 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 0.16 110.618 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.24 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.769 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.441 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 0.27 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.28 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.333 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.1 mp -97.38 -8.89 28.46 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 0.87 112.044 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.7 0.38 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 1.16 110.57 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.027 -1.429 . . . . 2.35 110.938 178.925 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.377 -0.601 . . . . 36.65 109.377 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.67 152.96 39.72 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.187 -0.46 . . . . 37.14 110.554 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -121.46 147.22 46.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.211 -0.45 . . . . 36.26 110.514 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.7 mtt -90.79 117.0 29.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.236 -0.438 . . . . 36.12 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.53 -38.3 84.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.274 -0.421 . . . . 35.35 110.519 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.86 75.17 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.884 -0.887 . . . . 34.84 110.884 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.82 -177.56 52.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.884 -0.886 . . . . 34.37 110.884 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.22 -38.45 90.45 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.692 0.282 . . . . 34.86 110.781 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -142.8 159.31 42.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.18 -0.464 . . . . 33.57 110.584 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.3 -35.95 82.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.216 -0.447 . . . . 32.05 110.706 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.85 171.53 36.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 30.8 110.79 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -155.26 156.73 36.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.658 0.266 . . . . 30.94 110.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.17 34.92 76.46 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.054 -0.818 . . . . 29.08 111.054 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.2 p -82.39 153.67 25.6 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.659 0.266 . . . . 27.99 110.604 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.5 mtt -141.49 133.92 28.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.178 -0.465 . . . . 27.87 110.428 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.21 -134.29 33.87 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.088 -0.805 . . . . 26.05 111.088 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.04 147.56 29.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.603 0.24 . . . . 24.72 110.475 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.92 123.62 26.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.197 -0.456 . . . . 23.32 110.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -145.34 160.46 41.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.177 -0.465 . . . . 22.02 110.594 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 158.65 32.68 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.133 -0.485 . . . . 21.23 110.57 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 68.1 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.12 0.486 . . . . 19.47 110.549 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -140.43 134.8 35.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.956 -0.566 . . . . 17.85 110.02 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.2 p -136.65 146.93 46.54 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.319 -0.401 . . . . 14.96 110.64 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -135.65 132.94 51.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 14.71 110.07 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.45 -157.49 44.33 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.844 -0.903 . . . . 11.62 110.844 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.73 -73.2 1.26 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.964 -0.855 . . . . 9.69 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -130.44 47.53 2.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.016 0.436 . . . . 14.31 110.446 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.1 145.4 49.66 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 111.002 -0.839 . . . . 7.32 111.002 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.52 145.09 69.43 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.613 1.542 . . . . 5.74 112.07 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.69 45.79 1.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.116 0.484 . . . . 8.09 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.1 t -121.9 141.65 51.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.887 -0.597 . . . . 3.07 110.491 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -152.25 48.81 0.77 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.231 -0.44 . . . . 2.27 110.544 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -72.48 -34.92 68.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 0.79 111.044 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.16 -59.4 12.38 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.42 -0.354 . . . . 0.47 111.643 -176.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 18.6 Cg_endo -58.6 -24.23 69.17 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.358 1.372 . . . . 0.44 112.69 -169.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.672 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t -65.73 -48.3 82.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 0.31 110.011 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.24 110.99 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.14 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.24 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 0.17 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.26 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 2.91 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 0.16 110.388 168.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.35 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.25 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.57 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 0.41 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 0.29 110.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.2 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.37 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' A' ' 82' ' ' VAL . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 1.87 110.903 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 49' ' ' ALA . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 0.21 109.992 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.19 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.23 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.202 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 0.95 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.23 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.21 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 0.22 110.963 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.31 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.73 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 0.51 111.698 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.56 110.618 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 0.75 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 0.19 110.771 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 0.21 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 0.25 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.18 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 0.98 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 0.29 110.958 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.01 110.73 -176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.25 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.39 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 0.23 110.734 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 0.16 110.388 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.08 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 0.22 110.383 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.19 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 0.29 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.27 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.667 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.23 111.063 -175.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.19 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.18 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ASN . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 0.21 110.791 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.19 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.14 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.63 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.11 110.637 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.556 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 0.15 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD22 HG12 ' B' ' 36' ' ' VAL . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.955 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 0.13 110.139 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 0.1 110.952 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' B' ' 100' ' ' LEU . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 0.23 111.719 -172.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.519 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 0.48 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 0.13 109.945 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 0.09 109.986 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.688 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.27 111.227 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 0.15 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.539 HD11 HG13 ' B' ' 103' ' ' VAL . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.11 111.193 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 0.12 110.11 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.14 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' HD22 ' B' ' 106' ' ' LEU . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 0.16 111.267 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.28 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.14 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.09 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.13 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.06 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.67 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 1.26 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.21 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 0.18 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.17 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 0.19 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 1.22 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.6 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 0.21 110.367 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.64 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 0.44 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 0.16 110.764 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.24 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' B' ' 37' ' ' ALA . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 0.23 110.433 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 0.27 111.097 -175.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.28 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.419 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.449 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.5 mp -96.74 -8.25 31.79 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 0.87 112.18 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.58 -36.05 70.76 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.088 -0.245 . . . . 1.16 110.598 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.005 -1.442 . . . . 2.62 111.0 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.386 -0.598 . . . . 33.16 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.11 82.59 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.253 -0.43 . . . . 32.82 110.676 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -144.09 145.52 32.21 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.218 -0.446 . . . . 32.83 110.511 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.11 -37.13 86.48 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.222 -0.445 . . . . 34.46 110.922 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -165.8 37.61 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.182 -0.463 . . . . 31.75 110.55 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.31 145.07 11.87 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.793 -0.923 . . . . 30.32 110.793 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.5 177.08 46.9 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.991 -0.844 . . . . 29.16 110.991 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -66.07 -36.22 82.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.612 0.244 . . . . 29.37 110.744 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -63.81 -35.87 82.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.291 -0.413 . . . . 29.22 110.831 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mtp -92.15 176.45 6.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.28 -0.418 . . . . 27.3 110.579 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.7 36.11 8.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.01 -0.836 . . . . 26.28 111.01 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -120.55 146.18 46.57 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.537 0.208 . . . . 27.96 110.56 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.23 -172.8 43.85 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 25.39 110.931 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -64.24 -35.71 81.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.588 0.233 . . . . 25.26 110.896 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 89.1 mtp -65.32 -36.25 83.47 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 25.89 110.801 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.5 -168.2 45.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.884 . . . . 24.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.35 33.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.769 0.319 . . . . 23.68 110.799 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.02 142.7 37.78 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.343 -0.39 . . . . 22.43 110.418 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -66.67 -34.8 78.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.171 -0.468 . . . . 21.41 110.88 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.36 -62.95 1.23 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.202 -0.453 . . . . 20.15 110.456 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.77 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 19.42 110.469 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.92 141.37 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.115 -0.493 . . . . 18.26 110.219 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -122.57 141.81 51.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.253 -0.431 . . . . 17.23 110.598 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.07 138.85 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.2 -0.455 . . . . 16.38 110.318 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.45 -78.35 1.27 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 14.42 110.867 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.06 -171.17 41.61 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.891 -0.884 . . . . 12.9 110.891 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -111.11 137.88 48.23 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.432 -0.21 . . . . 12.61 110.432 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.45 99.32 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.792 -0.923 . . . . 8.77 110.792 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.91 135.33 57.87 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.767 1.645 . . . . 7.53 112.467 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -114.77 142.38 46.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.125 -0.489 . . . . 8.51 110.569 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -138.55 155.4 48.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.154 -0.476 . . . . 5.0 110.457 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -66.32 -35.62 80.83 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.279 -0.419 . . . . 3.86 110.764 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -154.47 156.03 35.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.228 -0.442 . . . . 1.67 110.46 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.675 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.84 -60.55 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.292 -0.413 . . . . 0.47 111.323 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 19.0 Cg_endo -58.09 -24.46 66.24 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.427 1.418 . . . . 0.44 112.766 -169.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.66 HG12 HD22 ' A' ' 95' ' ' LEU . 22.0 t -65.54 -48.08 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 0.32 110.103 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.24 110.843 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.14 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 0.24 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 0.18 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 2.91 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 0.16 110.239 168.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.35 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.25 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.58 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 0.41 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 0.29 110.748 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.2 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.37 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' B' ' 82' ' ' VAL . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.949 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 49' ' ' ALA . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 0.21 109.984 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 0.18 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 0.15 110.282 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 0.21 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 0.22 110.87 -176.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.24 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 0.51 111.604 -174.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.44 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.56 110.604 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 0.75 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 0.19 110.761 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 0.21 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 0.25 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.18 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 0.29 110.919 -176.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.656 ' O ' HG23 ' B' ' 79' ' ' VAL . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.01 110.735 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.25 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.39 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.762 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.23 110.78 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 0.16 110.449 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.08 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 0.93 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 0.22 110.431 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.19 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 0.29 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.27 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.697 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.845 -174.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.19 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' B' ' 86' ' ' ASN . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 0.21 110.889 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.19 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.14 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.638 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.11 110.646 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.545 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 0.15 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 36' ' ' VAL . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 0.18 110.891 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.216 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.883 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 100' ' ' LEU . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 0.23 111.505 -172.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.52 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 0.48 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 0.13 109.857 172.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 0.09 109.925 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.27 111.157 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 0.15 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 103' ' ' VAL . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.11 111.021 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 103' ' ' VAL . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 0.12 110.176 175.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.14 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 0.16 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 0.16 111.154 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.73 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.28 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.14 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.09 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 0.13 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.06 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.21 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.67 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 1.26 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.21 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 0.18 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.17 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 0.19 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.12 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 1.22 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.573 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.329 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.64 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 0.44 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.688 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 0.16 110.588 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.412 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' SER . . . . . 0.418 ' HB2' HD12 ' B' ' 75' ' ' ILE . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.24 111.047 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 0.24 110.368 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 0.27 111.058 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 0.36 111.402 -173.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.5 mp -96.45 -8.88 31.09 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 0.87 112.051 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.105 -0.238 . . . . 1.16 110.682 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.042 -1.421 . . . . 2.35 111.003 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 46.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.369 -0.604 . . . . 36.65 109.369 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 66.97 -68.74 0.14 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.199 -0.455 . . . . 37.14 110.936 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -142.83 161.92 36.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.542 -0.299 . . . . 36.26 110.546 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -119.81 152.17 37.69 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.241 -0.436 . . . . 36.12 110.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -135.38 158.66 43.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.147 -0.479 . . . . 35.35 110.68 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.33 42.87 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.971 -0.852 . . . . 34.84 110.971 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -175.61 37.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.928 -0.869 . . . . 34.37 110.928 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 62.19 150.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.756 0.313 . . . . 34.86 111.084 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -94.83 119.27 33.13 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.157 -0.474 . . . . 33.57 110.493 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.3 ttm -105.38 129.33 53.72 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.233 -0.44 . . . . 32.05 110.455 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -130.08 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.981 -0.847 . . . . 30.8 110.981 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -131.01 133.22 45.57 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.658 0.266 . . . . 30.94 110.411 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.17 -179.86 18.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 29.08 110.852 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -143.47 156.34 44.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.644 0.259 . . . . 27.99 110.536 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ttt -138.63 144.33 39.67 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.251 -0.431 . . . . 27.87 110.43 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.61 36.68 0.51 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 26.05 110.964 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.3 84.66 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.613 0.244 . . . . 24.72 110.654 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.34 -67.1 1.02 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.494 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -152.77 161.75 42.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.282 -0.417 . . . . 22.02 110.553 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.26 86.75 0.21 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.207 -0.452 . . . . 21.23 110.608 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.01 113.73 0.49 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.079 -0.51 . . . . 19.47 110.545 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -120.69 129.67 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 17.85 110.108 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -135.59 148.85 49.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 14.96 110.517 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -121.55 131.03 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.257 -0.429 . . . . 14.71 110.063 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.44 -167.52 53.19 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.97 -0.852 . . . . 11.62 110.97 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.29 34.25 0.71 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.044 -0.823 . . . . 9.69 111.044 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -155.53 78.29 1.0 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 14.31 110.416 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.14 113.63 5.52 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.932 -0.867 . . . . 7.32 110.932 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.77 151.32 36.02 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.57 1.513 . . . . 5.74 112.03 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 59.65 47.81 10.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.057 0.456 . . . . 8.09 110.978 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -83.4 140.61 32.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 3.07 110.535 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m 59.13 79.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.186 -0.461 . . . . 2.27 111.037 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 -49.64 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.084 -0.507 . . . . 0.79 110.596 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -66.35 -59.12 8.97 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.156 -0.475 . . . . 0.47 111.199 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.512 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.5 Cg_endo -56.67 -20.74 35.98 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.521 1.48 . . . . 0.44 112.716 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.75 -49.75 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 0.31 110.104 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.817 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.14 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 0.24 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.26 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 2.91 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 0.16 110.319 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.35 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.25 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.57 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 0.29 110.727 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.2 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.37 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 1.87 111.174 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 0.21 109.991 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.19 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.23 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 0.18 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 0.15 110.104 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 0.95 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.23 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 0.21 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 57' ' ' VAL . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 0.22 110.922 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.989 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' B' ' 111' ' ' GLY . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 0.51 111.489 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.56 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 0.75 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 0.19 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 0.21 110.881 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 0.25 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 0.98 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 0.29 110.893 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.01 110.705 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.452 ' OG ' ' HB1' ' A' ' 137' ' ' ALA . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.25 110.885 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.39 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.23 110.654 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 0.16 110.503 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.93 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.19 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.23 110.972 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.19 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.18 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.21 110.734 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.19 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.14 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.11 110.687 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.15 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.18 110.909 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' CYS . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 0.13 110.072 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.945 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 0.23 111.635 -172.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 0.48 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 0.13 109.875 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 0.09 110.157 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.684 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.27 111.249 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 0.15 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD11 HG13 ' B' ' 103' ' ' VAL . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 0.11 111.248 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 103' ' ' VAL . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.14 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 0.16 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 0.16 111.25 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.736 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.28 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.14 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.09 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.13 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.06 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.21 110.288 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.67 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 1.26 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.21 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 0.18 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.17 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.19 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.12 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 1.22 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.491 ' OG1' HG11 ' B' ' 53' ' ' VAL . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 0.21 110.474 174.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.64 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 0.44 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 0.16 110.704 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.457 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.24 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.23 110.409 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.27 111.096 -175.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.28 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.47 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.5 mp -96.33 -8.04 33.67 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 0.87 112.169 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.93 -36.03 69.81 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.073 -0.251 . . . . 1.16 110.586 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.993 -1.448 . . . . 2.62 110.948 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.327 -0.62 . . . . 33.16 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.53 152.03 39.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 32.82 110.57 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -123.38 148.26 46.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.209 -0.45 . . . . 32.83 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.98 -35.86 82.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 34.46 110.856 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.3 p -85.22 162.43 19.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.31 -0.405 . . . . 31.75 110.529 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.56 -123.56 0.66 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.863 -0.895 . . . . 30.32 110.863 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.92 -34.47 5.59 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.106 -0.798 . . . . 29.16 111.106 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -104.69 139.64 39.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.667 0.27 . . . . 29.37 110.567 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -107.05 126.2 52.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.302 -0.408 . . . . 29.22 110.584 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.36 -36.45 81.4 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.15 -0.477 . . . . 27.3 110.847 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.01 -52.96 33.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.292 -0.723 . . . . 26.28 111.292 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.08 -39.73 86.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.613 0.244 . . . . 27.96 110.751 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.85 95.97 0.02 OUTLIER Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.149 -0.78 . . . . 25.39 111.149 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.9 m -64.69 -37.92 89.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 25.26 110.793 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.9 mtm -140.61 162.59 35.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.217 -0.447 . . . . 25.89 110.521 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.45 47.66 0.15 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.954 -0.858 . . . . 24.22 110.954 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.15 34.44 0.99 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.792 0.33 . . . . 23.68 110.654 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.31 154.72 41.28 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 22.43 110.579 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -120.05 148.89 43.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.145 -0.479 . . . . 21.41 110.461 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.99 139.16 55.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.158 -0.474 . . . . 20.15 110.578 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 156.84 40.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.112 -0.495 . . . . 19.42 110.536 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.53 152.14 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.235 -0.439 . . . . 18.26 110.514 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -145.52 148.42 33.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.16 -0.473 . . . . 17.23 110.601 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.47 133.07 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 16.38 110.087 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.57 -166.4 45.4 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.912 -0.875 . . . . 14.42 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.53 -179.3 47.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.012 -0.835 . . . . 12.9 111.012 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -66.12 -39.66 90.09 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.684 0.278 . . . . 12.61 110.667 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.16 163.55 20.98 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.903 -0.879 . . . . 8.77 110.903 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.76 -36.19 33.23 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.707 1.605 . . . . 7.53 111.994 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -134.45 140.25 46.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 8.51 110.591 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 65.7 m -134.4 135.95 42.97 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.22 -0.446 . . . . 5.0 110.519 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m 61.57 -79.08 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.149 -0.478 . . . . 3.86 111.276 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -151.68 151.11 31.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.574 0.226 . . . . 1.67 110.528 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -175.27 -59.7 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.295 -0.411 . . . . 0.47 111.115 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.4 Cg_endo -56.38 -20.89 34.57 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.657 1.571 . . . . 0.44 112.692 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.77 -49.5 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 0.24 110.735 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.24 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 0.18 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 0.17 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.26 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 2.91 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 0.16 110.125 168.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.58 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 0.41 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.583 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.758 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.2 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.37 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.693 ' NE ' HG22 ' B' ' 82' ' ' VAL . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.075 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 0.21 110.005 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.19 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.23 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 0.18 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 0.15 110.2 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 0.95 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.23 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.21 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 57' ' ' VAL . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.22 110.823 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.31 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' CA ' ' A' ' 111' ' ' GLY . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 0.51 111.423 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.56 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 0.75 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 0.19 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 0.21 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.98 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.676 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 0.29 110.839 -176.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 79' ' ' VAL . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.01 110.773 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.458 ' OG ' ' HB1' ' B' ' 137' ' ' ALA . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.25 110.881 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 0.23 110.705 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 0.16 110.54 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.08 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 0.22 110.424 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.19 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.29 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.27 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.594 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.23 110.879 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.19 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.18 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 0.21 110.892 -177.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.14 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.584 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.11 110.734 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.15 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 0.18 110.786 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 92' ' ' CYS . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 0.13 110.073 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.928 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 0.23 111.529 -173.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 0.48 110.945 -176.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 0.13 109.802 173.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 0.09 109.994 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.665 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.27 111.316 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 0.15 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.513 HD11 HG13 ' A' ' 103' ' ' VAL . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 0.11 111.021 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 0.12 110.177 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.14 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 0.16 111.331 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.28 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.14 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 0.13 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.06 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.21 110.364 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 0.18 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.17 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.19 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.12 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 1.22 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.492 ' OG1' HG11 ' A' ' 53' ' ' VAL . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 0.21 110.352 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.64 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 0.44 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.16 110.564 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.24 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.449 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.27 111.092 -175.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.28 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.477 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 0.36 111.272 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.5 mp -95.96 -8.68 33.15 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.38 -36.05 71.3 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.67 0.272 . . . . 1.16 110.669 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.966 -1.464 . . . . 2.35 110.977 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.409 -0.589 . . . . 36.65 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 142.91 53.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.164 -0.471 . . . . 37.14 110.633 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -138.28 143.55 40.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.214 -0.448 . . . . 36.26 110.469 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.9 mtp -112.07 142.36 44.61 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 36.12 110.579 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -138.37 157.16 46.77 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.188 -0.46 . . . . 35.35 110.601 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.34 -174.73 44.98 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.947 -0.861 . . . . 34.84 110.947 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.82 -178.26 51.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.873 -0.891 . . . . 34.37 110.873 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.4 -37.87 88.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.604 0.24 . . . . 34.86 110.758 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -142.73 152.29 42.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 33.57 110.553 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.5 mtp -129.3 161.15 30.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.213 -0.449 . . . . 32.05 110.494 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.66 -36.65 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.946 -0.862 . . . . 30.8 110.946 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -123.42 147.93 46.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.638 0.256 . . . . 30.94 110.504 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 130.3 24.47 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.936 -0.865 . . . . 29.08 110.936 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.46 -35.69 81.65 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.643 0.259 . . . . 27.99 110.839 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.3 mtm -90.58 135.4 33.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.291 -0.413 . . . . 27.87 110.573 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.73 -169.21 32.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.774 -0.931 . . . . 26.05 110.774 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.53 106.56 10.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.612 0.244 . . . . 24.72 110.471 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.51 165.73 35.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.103 -0.499 . . . . 23.32 110.527 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -69.04 158.3 35.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.215 -0.448 . . . . 22.02 110.591 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 145.59 55.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.213 -0.448 . . . . 21.23 110.697 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.63 146.37 25.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.18 -0.464 . . . . 19.47 110.597 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.53 142.16 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.184 -0.462 . . . . 17.85 110.078 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -91.17 154.34 19.4 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.226 -0.443 . . . . 14.96 110.435 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -93.18 133.5 34.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.426 . . . . 14.71 110.167 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 161.04 11.44 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.871 -0.891 . . . . 11.62 110.871 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.83 -31.75 8.04 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.292 -0.723 . . . . 9.69 111.292 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 58.35 79.43 0.21 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.97 0.414 . . . . 14.31 110.949 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.4 58.05 9.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.071 -0.812 . . . . 7.32 111.071 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.75 144.43 27.87 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.775 1.65 . . . . 5.74 112.07 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -100.23 44.43 1.02 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.115 0.484 . . . . 8.09 110.419 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 t -123.97 142.59 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.878 -0.601 . . . . 3.07 110.527 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t 59.12 68.61 0.79 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.171 -0.468 . . . . 2.27 110.929 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -163.19 -50.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.526 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -66.58 -59.13 8.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.47 111.217 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.501 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.1 Cg_endo -56.01 -20.8 31.51 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 121.613 1.542 . . . . 0.44 112.803 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.76 -49.6 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 0.31 110.152 176.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.782 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 0.24 110.825 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.14 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD22 HD12 ' A' ' 100' ' ' LEU . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 0.16 110.516 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.35 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.25 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.57 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 0.41 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 0.29 110.777 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.2 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.37 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 1.87 111.011 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 0.21 110.067 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.19 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 0.18 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.167 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.23 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 0.21 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' VAL . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 0.22 111.03 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.31 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.24 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.748 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 0.51 111.574 -172.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 0.75 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 0.25 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.18 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 0.29 110.885 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.01 110.741 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.25 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.39 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 0.23 110.74 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 0.16 110.388 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.08 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 0.93 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 0.22 110.39 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.19 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 0.29 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.27 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.23 111.026 -174.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.19 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.18 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 86' ' ' ASN . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 0.21 110.807 -176.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.19 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.14 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.11 110.772 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 0.15 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 0.18 110.761 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.615 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 0.13 110.003 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HA ' HD21 ' A' ' 100' ' ' LEU . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.1 110.862 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 0.23 111.808 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD12 HD22 ' A' ' 44' ' ' LEU . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 0.48 110.957 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 0.13 109.864 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 0.09 110.028 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.703 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.28 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 0.15 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 106' ' ' LEU . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 0.11 111.036 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 103' ' ' VAL . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 0.12 110.256 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.14 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.16 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 0.16 111.332 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.76 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.28 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.14 110.82 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.13 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.06 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.21 110.549 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.67 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 1.26 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.21 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 0.18 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.17 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 0.19 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.12 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 1.22 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.547 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 0.21 110.421 173.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.64 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 0.44 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.789 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.462 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.24 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.783 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 0.23 110.482 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.27 111.05 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.28 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 0.36 111.443 -173.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp -97.67 -8.21 29.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 0.87 112.192 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.48 -36.24 68.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.594 0.235 . . . . 1.16 110.602 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.771 0 CA-C-O 118.032 -1.427 . . . . 2.62 110.929 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.41 -0.589 . . . . 33.16 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 154.82 40.97 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.14 -0.482 . . . . 32.82 110.595 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -119.46 147.4 44.46 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.252 -0.431 . . . . 32.83 110.475 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.9 mtt -65.16 -37.31 86.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.195 -0.457 . . . . 34.46 110.806 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -130.09 138.3 50.64 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.247 -0.433 . . . . 31.75 110.493 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.04 134.19 16.52 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.809 -0.916 . . . . 30.32 110.809 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.91 42.14 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.798 -0.921 . . . . 29.16 110.798 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.74 155.43 47.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.643 0.259 . . . . 29.37 110.642 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -126.48 126.41 43.7 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.175 -0.466 . . . . 29.22 110.357 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.8 mmm -65.83 -38.86 90.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.31 -0.405 . . . . 27.3 110.739 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.56 34.21 67.56 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.052 -0.819 . . . . 26.28 111.052 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -64.96 -39.86 94.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.719 0.295 . . . . 27.96 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 36.16 54.64 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.935 -0.866 . . . . 25.39 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -65.83 -33.48 75.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.471 0.176 . . . . 25.26 110.923 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.1 mtm -96.15 141.55 29.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.431 -0.349 . . . . 25.89 110.59 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.5 95.22 0.1 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.967 -0.853 . . . . 24.22 110.967 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.13 144.09 32.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.623 0.249 . . . . 23.68 110.55 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.01 154.11 40.84 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.168 -0.469 . . . . 22.43 110.611 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -64.83 -37.15 86.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.288 -0.414 . . . . 21.41 110.836 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.45 149.09 27.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.197 -0.456 . . . . 20.15 110.616 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.94 147.28 32.46 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.222 -0.444 . . . . 19.42 110.516 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.07 138.88 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.25 -0.432 . . . . 18.26 110.4 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p 52.17 -87.3 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.964 -0.562 . . . . 17.23 112.003 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.03 30.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.636 0.255 . . . . 16.38 110.946 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.79 -151.29 37.29 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.866 -0.893 . . . . 14.42 110.866 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.87 112.55 0.3 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.987 -0.845 . . . . 12.9 110.987 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -67.68 -36.97 81.67 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.62 0.248 . . . . 12.61 110.716 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.69 160.36 27.39 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.85 -29.91 41.15 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.706 1.604 . . . . 7.53 112.157 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.93 138.5 31.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.304 -0.407 . . . . 8.51 110.447 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -99.65 154.97 17.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.127 -0.488 . . . . 5.0 110.56 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -67.23 176.29 2.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.19 -0.459 . . . . 3.86 110.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 83.7 p -65.71 156.78 31.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.274 -0.421 . . . . 1.67 110.749 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.678 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.12 -59.66 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.2 -0.454 . . . . 0.47 111.038 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.2 Cg_endo -55.72 -20.97 30.17 Favored 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 121.677 1.584 . . . . 0.44 112.724 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.589 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.65 -49.52 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.783 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.756 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.18 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.17 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.26 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 2.91 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 HD12 ' B' ' 100' ' ' LEU . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 0.16 110.349 171.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.35 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.25 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.58 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 0.29 110.756 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.2 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.37 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.728 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 1.87 110.877 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 49' ' ' ALA . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 0.21 110.053 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.19 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.23 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.18 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.624 ' O ' HG23 ' B' ' 61' ' ' VAL . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 0.15 110.148 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 0.95 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.23 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 0.21 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 57' ' ' VAL . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.937 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.31 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.76 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 0.51 111.564 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.56 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 0.75 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 0.19 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.25 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.18 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 0.98 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 0.29 110.782 -177.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.697 ' O ' HG23 ' B' ' 79' ' ' VAL . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.01 110.822 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.25 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.39 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.77 ' O ' HG23 ' B' ' 82' ' ' VAL . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.743 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 0.16 110.471 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.08 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.93 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 0.22 110.401 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 0.29 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.27 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.502 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.23 110.901 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.19 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.18 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' B' ' 86' ' ' ASN . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 0.21 110.959 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.19 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.14 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.609 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.11 110.773 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 0.15 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 0.18 110.696 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.619 ' O ' HD23 ' B' ' 100' ' ' LEU . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 0.13 110.005 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.513 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.1 110.873 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 100' ' ' LEU . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 0.23 111.656 -172.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.725 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.923 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 0.13 109.664 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 0.09 109.927 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.27 111.214 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 0.15 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.11 110.939 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.14 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 0.16 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.438 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 0.16 111.27 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.748 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.28 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.438 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.14 110.922 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.09 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.06 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.21 110.501 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.21 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 0.18 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.17 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 0.19 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.12 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 1.22 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.524 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 0.21 110.334 173.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.64 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 0.44 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 104' ' ' SER . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 0.16 110.683 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.461 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.24 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.782 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 0.24 110.418 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 0.27 111.039 -175.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.28 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.528 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.352 -173.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 0.87 112.134 -175.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.95 -36.28 69.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.645 0.26 . . . . 1.16 110.668 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.697 0 CA-C-O 117.937 -1.48 . . . . 2.35 110.889 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.419 -0.585 . . . . 36.65 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.06 109.81 17.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.243 -0.435 . . . . 37.14 110.584 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -168.45 -51.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.144 -0.48 . . . . 36.26 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.3 ptp -142.48 169.13 18.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.111 -0.495 . . . . 36.12 110.505 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -65.56 -35.75 81.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.276 -0.42 . . . . 35.35 110.755 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.75 139.3 0.06 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.036 -0.826 . . . . 34.84 111.036 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 34.56 0.26 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.05 -0.82 . . . . 34.37 111.05 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.47 -37.49 85.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.659 0.266 . . . . 34.86 110.803 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -132.64 156.04 47.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.255 -0.429 . . . . 33.57 110.602 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.7 mtp -65.17 -35.34 80.78 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.205 -0.452 . . . . 32.05 110.83 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.81 -107.52 3.2 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.866 . . . . 30.8 110.934 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -149.11 163.98 36.02 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.587 0.232 . . . . 30.94 110.761 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.48 -57.52 0.49 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.928 -0.869 . . . . 29.08 110.928 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -65.12 -35.7 81.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.565 0.222 . . . . 27.99 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -98.32 149.4 22.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.318 -0.401 . . . . 27.87 110.518 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.79 172.6 23.57 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.905 -0.878 . . . . 26.05 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.0 32.13 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.716 0.293 . . . . 24.72 110.578 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.67 149.45 25.55 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.627 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.5 p -100.1 150.78 22.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 22.02 110.523 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.77 -44.96 72.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.212 -0.449 . . . . 21.23 110.709 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.21 159.34 28.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.278 -0.419 . . . . 19.47 110.639 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.0 132.94 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.209 -0.451 . . . . 17.85 110.036 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -144.56 149.91 36.62 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.2 -0.454 . . . . 14.96 110.638 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -112.69 133.24 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.231 -0.44 . . . . 14.71 110.075 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.25 -167.61 39.72 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.001 -0.84 . . . . 11.62 111.001 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.86 34.84 17.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.049 -0.821 . . . . 9.69 111.049 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -118.81 34.63 5.13 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.737 0.303 . . . . 14.31 110.513 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.41 140.96 47.69 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 111.095 -0.802 . . . . 7.32 111.095 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.01 171.61 17.82 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.745 1.63 . . . . 5.74 112.202 -172.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 60.32 48.15 8.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.063 0.459 . . . . 8.09 111.022 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -84.41 143.52 29.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.944 -0.571 . . . . 3.07 110.499 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -115.86 45.49 1.71 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.108 0.48 . . . . 2.27 110.503 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 t -87.66 -34.86 18.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.898 -0.592 . . . . 0.79 110.72 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.687 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -64.45 -58.86 12.22 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.304 -0.407 . . . . 0.47 111.522 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 29.2 Cg_endo -59.51 -21.69 63.01 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.303 1.336 . . . . 0.44 112.628 -167.086 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.504 HG12 HD22 ' B' ' 95' ' ' LEU . 24.9 t -64.47 -50.95 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 0.31 110.158 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.71 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 0.24 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 0.18 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 0.17 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.26 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 2.91 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 0.16 110.286 168.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.35 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.25 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.57 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 0.41 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 0.29 110.754 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.2 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.37 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.708 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 1.87 111.123 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.727 HG11 ' OG1' ' B' ' 127' ' ' THR . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 0.21 110.064 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.19 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 0.18 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.175 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.21 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 0.22 110.976 -175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.31 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.24 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.866 HG21 ' CA ' ' B' ' 111' ' ' GLY . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 0.51 111.537 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.56 110.612 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 0.75 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 0.19 110.693 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.21 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 0.25 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 0.29 110.858 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.01 110.69 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.25 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.39 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.23 110.524 -176.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 0.16 110.471 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 0.93 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 0.22 110.413 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.459 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.19 110.786 175.092 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 0.29 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.27 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.23 110.982 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.19 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 86' ' ' ASN . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 0.21 110.722 -177.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.14 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.11 110.639 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.555 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 83' ' ' SER . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.23 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.937 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 0.13 110.178 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 0.1 111.002 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 0.23 111.651 -172.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 0.48 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 44' ' ' LEU . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 0.13 109.936 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 0.09 110.057 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.704 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.27 111.326 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 0.15 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.503 ' HB2' HD13 ' B' ' 106' ' ' LEU . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 0.11 111.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 103' ' ' VAL . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 0.12 110.119 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.14 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 0.16 110.494 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' B' ' 109' ' ' ILE . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.36 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.28 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.14 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.09 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.13 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.06 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.407 HG21 ' CG1' ' B' ' 57' ' ' VAL . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.21 110.501 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.67 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 1.26 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.21 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 0.18 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.17 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.12 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 1.22 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.752 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.47 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.64 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 0.44 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.686 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 0.16 110.631 -178.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.448 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.24 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.791 HG13 ' HB1' ' B' ' 37' ' ' ALA . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 0.23 110.511 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 0.27 111.042 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.28 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 0.36 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.4 mp -95.78 -8.33 34.66 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 0.87 112.065 -176.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.42 -36.34 68.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.576 0.227 . . . . 1.16 110.519 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.953 -1.471 . . . . 2.62 110.919 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.381 -0.6 . . . . 33.16 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.86 154.2 41.71 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.255 -0.43 . . . . 32.82 110.56 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m 59.24 104.54 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.239 -0.437 . . . . 32.83 111.076 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -91.81 140.45 29.67 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.209 -0.451 . . . . 34.46 110.551 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -65.83 -36.74 84.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.209 -0.451 . . . . 31.75 110.728 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.54 36.31 26.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 30.32 110.916 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.22 72.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.878 -0.889 . . . . 29.16 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.71 -37.06 86.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.647 0.26 . . . . 29.37 110.762 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -97.19 129.51 44.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.232 -0.44 . . . . 29.22 110.598 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtt -66.3 -37.09 84.58 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.305 -0.407 . . . . 27.3 110.7 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.06 -173.15 46.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.887 -0.885 . . . . 26.28 110.887 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 64.11 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.274 0.23 . . . . 27.96 111.246 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.01 52.93 2.55 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.056 -0.818 . . . . 25.39 111.056 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.93 158.51 34.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.638 0.256 . . . . 25.26 110.676 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp -64.06 -35.45 80.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.26 -0.427 . . . . 25.89 110.924 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.05 -170.5 39.61 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.004 -0.838 . . . . 24.22 111.004 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.03 48.67 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.689 0.28 . . . . 23.68 110.635 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.92 152.47 18.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.159 -0.473 . . . . 22.43 110.453 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -63.36 -36.82 84.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.264 -0.425 . . . . 21.41 110.87 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.91 141.42 37.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.227 -0.442 . . . . 20.15 110.505 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.46 123.93 1.93 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.225 -0.443 . . . . 19.42 110.674 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.18 136.25 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.19 -0.459 . . . . 18.26 110.022 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 99.5 p -112.7 145.06 41.16 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.254 -0.43 . . . . 17.23 110.583 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.36 -38.58 77.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.187 -0.46 . . . . 16.38 110.21 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.83 35.91 23.64 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.012 -0.835 . . . . 14.42 111.012 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.24 -176.84 51.23 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.912 -0.875 . . . . 12.9 110.912 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -131.86 141.49 49.42 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.65 0.262 . . . . 12.61 110.476 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.13 155.51 16.06 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.932 -0.867 . . . . 8.77 110.932 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.98 -41.46 68.27 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 121.842 1.695 . . . . 7.53 112.293 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 58.37 33.44 23.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.258 -0.428 . . . . 8.51 111.061 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -124.84 139.25 54.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.193 -0.458 . . . . 5.0 110.525 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -170.91 -67.45 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.323 -0.399 . . . . 3.86 111.042 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.5 p -96.92 -40.28 8.97 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 1.67 111.227 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.691 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -64.07 -58.99 12.26 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.428 -0.351 . . . . 0.47 111.527 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 28.4 Cg_endo -59.44 -21.8 63.09 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.35 1.366 . . . . 0.44 112.635 -167.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 95' ' ' LEU . 25.1 t -64.5 -50.77 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 0.32 110.169 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.791 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 0.24 110.68 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.14 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.24 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 0.16 110.169 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.35 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.58 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.604 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 0.29 110.69 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.37 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.707 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 1.87 111.032 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.752 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 0.21 110.111 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.19 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 0.18 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 0.15 110.221 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 0.95 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 0.21 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.848 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.31 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.24 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 0.51 111.473 -175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.56 110.553 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 0.19 110.782 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.18 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 0.98 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 0.29 110.874 -176.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.673 ' O ' HG23 ' B' ' 79' ' ' VAL . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.733 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.25 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.39 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 0.23 110.494 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 0.16 110.556 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.08 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.93 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 0.22 110.443 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.455 ' HB3' HG11 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.19 110.595 175.278 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 0.29 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.65 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.23 110.859 -174.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.19 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' B' ' 86' ' ' ASN . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 0.21 110.87 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.14 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' B' ' 96' ' ' VAL . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.6 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.558 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 83' ' ' SER . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 0.15 110.227 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.859 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 0.13 110.205 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' B' ' 82' ' ' VAL . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.1 110.947 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 0.23 111.491 -173.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 0.48 110.932 -176.099 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.409 ' HG2' HD12 ' B' ' 44' ' ' LEU . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 0.13 109.812 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 0.09 109.859 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.686 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.27 111.191 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 0.15 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 109' ' ' ILE . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 0.11 111.069 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.14 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 0.16 110.406 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 109' ' ' ILE . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 0.16 111.328 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.866 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.28 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.14 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.09 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.13 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.06 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.414 HG21 ' CG1' ' A' ' 57' ' ' VAL . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.21 110.505 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.67 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 1.26 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.21 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 0.18 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.17 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 0.19 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 1.22 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.727 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.375 174.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 0.44 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 0.16 110.598 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.24 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.788 HG13 ' HB1' ' A' ' 37' ' ' ALA . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 0.24 110.511 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 0.27 111.06 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.28 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.36 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.4 mp -95.37 -8.99 34.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 0.87 112.054 -176.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.93 -36.24 69.88 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.612 0.244 . . . . 1.16 110.654 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.965 -1.464 . . . . 2.35 110.937 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.497 -0.557 . . . . 36.65 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.42 109.4 19.55 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.179 -0.464 . . . . 37.14 110.605 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.3 -36.09 82.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.209 -0.45 . . . . 36.26 110.816 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.2 mtm -104.63 147.48 27.6 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.286 -0.415 . . . . 36.12 110.642 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -136.68 33.93 2.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.254 -0.43 . . . . 35.35 110.666 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.59 -174.77 46.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.974 -0.851 . . . . 34.84 110.974 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 125.32 1.0 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.021 -0.832 . . . . 34.37 111.021 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -116.88 147.97 41.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.618 0.247 . . . . 34.86 110.534 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.23 41.63 16.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.974 0.416 . . . . 33.57 110.875 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -117.5 155.63 29.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 32.05 110.534 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.21 35.66 33.39 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.987 -0.845 . . . . 30.8 110.987 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -81.62 142.97 32.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.63 0.253 . . . . 30.94 110.509 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.51 -171.06 43.18 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.975 -0.85 . . . . 29.08 110.975 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.21 -35.85 82.35 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.603 0.239 . . . . 27.99 110.804 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -126.34 156.47 40.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.251 -0.431 . . . . 27.87 110.525 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.77 -35.78 92.33 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.153 -0.779 . . . . 26.05 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.27 156.12 42.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.649 0.261 . . . . 24.72 110.535 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 145.0 54.1 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.223 -0.444 . . . . 23.32 110.556 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -68.67 148.44 50.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 22.02 110.627 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.06 153.03 21.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.119 -0.491 . . . . 21.23 110.482 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 139.76 52.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.224 -0.444 . . . . 19.47 110.498 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.64 132.27 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.251 -0.432 . . . . 17.85 110.127 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 t -151.72 145.75 25.26 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 14.96 110.524 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.83 128.99 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 14.71 110.092 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.71 -176.2 43.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 11.62 110.872 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.17 80.12 0.2 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.107 -0.797 . . . . 9.69 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.41 -20.44 66.37 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.674 0.25 . . . . 14.31 111.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.33 171.06 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.179 -0.768 . . . . 7.32 111.179 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.68 175.18 10.86 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.911 1.741 . . . . 5.74 112.134 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -97.76 45.18 1.03 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.045 0.45 . . . . 8.09 110.528 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -145.31 146.99 31.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 3.07 110.436 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -113.18 45.16 1.41 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.08 0.467 . . . . 2.27 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -67.2 -32.56 73.71 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.79 111.115 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -59.23 -59.05 15.11 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.549 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -55.73 -21.31 31.68 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.503 1.469 . . . . 0.44 112.694 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HD22 ' B' ' 95' ' ' LEU . 21.8 t -64.26 -47.93 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 0.31 110.226 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 0.24 110.702 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 0.24 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.18 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 0.17 110.683 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.26 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 2.91 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 100' ' ' LEU . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 0.16 110.406 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.35 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.25 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.57 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 0.41 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 0.29 110.671 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.2 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.37 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NE ' HG22 ' A' ' 82' ' ' VAL . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 1.87 111.035 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 49' ' ' ALA . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 0.21 109.939 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.19 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.23 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 0.18 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 53' ' ' VAL . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 0.15 110.191 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.23 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 0.21 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' VAL . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.972 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.31 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.24 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.624 HG21 ' HA2' ' B' ' 111' ' ' GLY . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 0.51 111.543 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.56 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 0.75 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 0.19 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.21 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 0.25 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.18 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 0.98 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.864 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.01 110.727 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.25 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.39 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 0.23 110.652 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 0.16 110.527 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.08 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 0.93 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 0.22 110.407 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.19 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 0.29 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.552 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.23 111.053 -174.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.19 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.18 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 0.21 110.828 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.19 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.14 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.11 110.709 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 0.15 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.886 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.213 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 0.1 111.018 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' B' ' 100' ' ' LEU . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 0.23 111.668 -172.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 0.48 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 0.13 109.892 173.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 0.09 110.106 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.728 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.27 111.245 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 0.15 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' A' ' 109' ' ' ILE . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.11 111.096 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 0.12 110.211 175.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.14 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 106' ' ' LEU . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 0.16 110.414 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 0.16 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.626 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.28 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.14 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.09 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.13 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.06 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.21 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.67 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 1.26 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.21 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 0.18 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.17 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 0.19 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.12 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 1.22 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 0.21 110.463 173.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.64 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 0.44 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.719 HG21 ' HA ' ' B' ' 104' ' ' SER . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 0.16 110.634 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.428 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.24 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 37' ' ' ALA . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 0.23 110.587 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 0.27 111.041 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.1 mm? -95.22 -8.22 36.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 0.87 111.97 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.1 -36.27 66.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.534 0.207 . . . . 1.16 110.47 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.91 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.343 -0.614 . . . . 33.16 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.05 151.59 37.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.133 -0.485 . . . . 32.82 110.539 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -114.13 32.93 5.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.19 -0.459 . . . . 32.83 110.717 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.7 143.97 29.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.326 -0.397 . . . . 34.46 110.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -124.02 161.12 26.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.277 -0.419 . . . . 31.75 110.53 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.6 -40.56 96.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.099 -0.8 . . . . 30.32 111.099 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -34.09 5.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.226 -0.75 . . . . 29.16 111.226 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -110.89 160.32 16.89 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.743 0.306 . . . . 29.37 110.532 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.42 131.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.167 -0.47 . . . . 29.22 110.857 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.9 mmm -85.83 140.42 30.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.091 -0.504 . . . . 27.3 110.599 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.08 -62.79 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.921 -0.872 . . . . 26.28 110.921 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -65.9 -35.97 82.12 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.671 0.272 . . . . 27.96 110.801 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.26 102.12 0.21 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.869 -0.892 . . . . 25.39 110.869 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -65.43 -36.18 83.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.688 0.28 . . . . 25.26 110.866 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -130.18 158.21 40.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.233 -0.439 . . . . 25.89 110.562 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.4 139.03 29.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.881 -0.888 . . . . 24.22 110.881 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.38 80.36 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.535 0.207 . . . . 23.68 110.728 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.63 136.96 39.68 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.307 -0.406 . . . . 22.43 110.668 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -126.64 144.25 50.97 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.219 -0.446 . . . . 21.41 110.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 137.54 45.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.223 -0.444 . . . . 20.15 110.608 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 24' ' ' VAL . . . -161.76 142.41 10.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 19.42 110.496 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.84 -36.85 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.137 -0.483 . . . . 18.26 110.492 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 21.6 m -62.39 -39.09 92.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.312 -0.403 . . . . 17.23 111.248 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' B' ' 21' ' ' ALA . 26.9 m -68.51 -31.68 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.337 -0.392 . . . . 16.38 111.045 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.31 43.27 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.996 -0.842 . . . . 14.42 110.996 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.41 -178.01 52.12 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.888 -0.885 . . . . 12.9 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -123.01 140.04 53.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.715 0.293 . . . . 12.61 110.528 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.58 167.07 5.5 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 8.77 110.983 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.39 146.87 88.19 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.889 1.726 . . . . 7.53 112.192 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.68 -36.33 83.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.177 -0.465 . . . . 8.51 110.749 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -119.25 149.83 41.11 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 5.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -64.09 -35.69 81.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.278 -0.419 . . . . 3.86 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -125.81 140.97 52.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.274 -0.421 . . . . 1.67 110.457 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -177.35 -59.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.196 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.448 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.6 Cg_endo -55.48 -21.42 30.33 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 121.54 1.493 . . . . 0.44 112.665 -177.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 95' ' ' LEU . 21.9 t -64.24 -47.89 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 0.32 110.195 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.707 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 0.24 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 0.17 110.72 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.26 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 2.91 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 0.16 110.3 170.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.35 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.58 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 0.41 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 0.29 110.745 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.2 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.37 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' B' ' 82' ' ' VAL . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 1.87 111.012 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 49' ' ' ALA . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 0.21 109.947 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.23 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 0.18 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 53' ' ' VAL . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 0.15 110.334 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 57' ' ' VAL . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.914 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.24 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.626 HG21 ' HA2' ' A' ' 111' ' ' GLY . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 0.51 111.448 -174.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.56 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 0.75 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 0.19 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 0.25 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.18 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 0.98 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 0.29 110.812 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.01 110.696 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.25 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.39 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 0.23 110.611 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 0.16 110.589 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.08 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.93 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 0.22 110.412 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.19 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.23 110.913 -174.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.19 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.21 110.905 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.19 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.14 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.587 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.11 110.64 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 0.15 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.155 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.538 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.1 110.929 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 100' ' ' LEU . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 0.23 111.491 -172.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 0.48 110.876 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 0.13 109.782 173.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.97 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.27 111.258 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 0.15 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 109' ' ' ILE . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 0.11 110.976 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 0.12 110.106 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.14 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 0.16 110.38 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.16 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.28 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.14 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.09 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 0.13 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.06 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.21 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.67 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 1.26 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.21 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 0.18 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.17 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.19 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.12 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 1.22 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.496 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 0.21 110.382 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 0.44 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.728 HG21 ' HA ' ' A' ' 104' ' ' SER . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 0.16 110.597 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.418 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.735 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 0.24 110.453 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 0.27 111.013 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.28 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 0.36 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.679 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.1 mm? -94.74 -8.92 36.23 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 0.87 111.942 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.52 -36.23 68.27 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.665 0.269 . . . . 1.16 110.69 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.969 -1.462 . . . . 2.35 110.986 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.326 -0.62 . . . . 36.65 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.87 -59.31 0.4 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.166 -0.47 . . . . 37.14 110.531 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t 58.5 94.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.282 -0.417 . . . . 36.26 111.061 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mtp -95.42 127.28 41.34 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.161 -0.472 . . . . 36.12 110.571 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -67.43 -38.74 85.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.167 -0.47 . . . . 35.35 110.542 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.54 46.89 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.021 -0.832 . . . . 34.84 111.021 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.0 -179.49 35.51 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.906 -0.878 . . . . 34.37 110.906 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -114.66 137.01 52.42 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.705 0.288 . . . . 34.86 110.51 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -132.37 120.01 21.47 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 33.57 110.484 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.7 ttp -67.38 -37.14 82.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.219 -0.446 . . . . 32.05 110.578 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.58 -172.83 45.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.938 -0.865 . . . . 30.8 110.938 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.29 129.71 55.9 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 30.94 110.496 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.91 -40.3 95.35 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.277 -0.729 . . . . 29.08 111.277 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -142.65 148.58 37.64 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.667 0.27 . . . . 27.99 110.629 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.84 153.54 21.21 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.18 -0.464 . . . . 27.87 110.583 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.71 171.19 40.61 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 26.05 110.979 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.39 154.03 37.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.615 0.245 . . . . 24.72 110.58 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.81 153.91 38.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 23.32 110.562 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -120.98 144.94 48.24 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.496 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.05 153.77 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.203 -0.453 . . . . 21.23 111.083 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 90.52 4.91 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.428 . . . . 19.47 110.57 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.76 129.99 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.18 -0.464 . . . . 17.85 110.038 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -137.54 147.77 45.41 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.194 -0.457 . . . . 14.96 110.609 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -125.12 134.04 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 14.71 109.989 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.97 -162.95 32.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.989 -0.845 . . . . 11.62 110.989 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 34.99 13.53 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.076 -0.81 . . . . 9.69 111.076 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.78 30.77 6.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.589 0.233 . . . . 14.31 110.863 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.72 1.61 Allowed Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.94 -0.864 . . . . 7.32 110.94 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 153.83 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.722 1.615 . . . . 5.74 112.063 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 59.9 47.71 9.7 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.1 0.476 . . . . 8.09 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.9 t -104.14 142.84 33.79 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.919 -0.582 . . . . 3.07 110.558 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.6 t -108.04 49.45 0.81 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.17 0.51 . . . . 2.27 110.469 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -75.99 -34.6 59.76 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.959 -0.564 . . . . 0.79 111.122 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.68 -59.09 12.52 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.565 -0.289 . . . . 0.47 111.535 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 28.3 Cg_endo -59.65 -24.55 75.81 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.38 1.387 . . . . 0.44 112.582 -167.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 HD22 ' B' ' 95' ' ' LEU . 22.4 t -64.89 -48.85 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 0.31 110.176 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 0.24 110.708 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.14 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 0.18 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 0.17 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 2.91 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 0.16 110.497 170.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.35 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.25 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.57 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 0.41 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.761 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.2 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.37 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' A' ' 82' ' ' VAL . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.07 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 0.21 110.043 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 0.15 110.092 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 0.95 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.23 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 0.21 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 0.22 110.878 -176.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.31 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.994 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.87 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 0.51 111.586 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 0.75 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.19 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.801 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 0.25 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.18 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 0.98 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 0.29 111.008 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.01 110.642 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.25 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.39 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 0.23 110.614 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 0.16 110.547 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.08 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 0.93 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 0.22 110.343 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.19 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 0.29 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.23 111.025 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.19 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 86' ' ' ASN . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 0.21 110.696 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.19 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.14 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.628 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.11 110.645 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 0.15 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' B' ' 37' ' ' ALA . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 0.18 110.842 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 0.13 109.981 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.518 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 0.1 110.842 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 0.23 111.826 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 0.48 110.857 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 44' ' ' LEU . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 0.13 109.854 173.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.492 HG13 HD11 ' B' ' 106' ' ' LEU . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 0.09 109.873 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.354 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 0.15 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 106' ' ' LEU . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 0.11 111.173 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 103' ' ' VAL . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 0.12 110.201 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.407 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.14 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 0.16 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 0.16 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.837 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.28 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.14 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.09 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.06 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.21 110.457 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.67 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.21 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 0.18 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.17 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 0.19 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 0.21 110.457 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.64 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 0.44 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.717 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 0.16 110.756 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.454 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.24 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 0.23 110.511 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 0.27 111.17 -174.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.28 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 0.36 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.7 mp -95.09 -8.29 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 0.87 112.035 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.97 -36.26 69.78 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.634 0.254 . . . . 1.16 110.557 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.018 -1.435 . . . . 2.62 110.98 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.394 -0.595 . . . . 33.16 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.87 156.23 43.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.182 -0.463 . . . . 32.82 110.544 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -125.46 155.31 40.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.213 -0.449 . . . . 32.83 110.554 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.4 ttm -95.59 138.03 33.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.201 -0.454 . . . . 34.46 110.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.54 158.87 42.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.696 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.48 -137.68 2.27 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 30.32 110.957 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.61 161.64 24.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 29.16 110.921 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -67.03 -36.81 82.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.538 0.208 . . . . 29.37 110.718 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.91 -36.4 84.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.298 -0.41 . . . . 29.22 110.984 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -99.66 141.07 32.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.338 -0.392 . . . . 27.3 110.704 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.57 -172.71 43.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.959 -0.856 . . . . 26.28 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.58 143.44 54.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.638 0.256 . . . . 27.96 110.535 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.59 50.68 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.868 -0.893 . . . . 25.39 110.868 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -115.31 149.95 37.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.668 0.27 . . . . 25.26 110.567 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.0 mtm -94.02 -178.38 4.62 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.181 -0.463 . . . . 25.89 110.57 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.44 35.89 6.08 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.057 -0.817 . . . . 24.22 111.057 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.05 152.4 40.06 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.586 0.231 . . . . 23.68 110.529 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.13 -57.45 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.29 -0.414 . . . . 22.43 110.664 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -65.77 -38.61 89.51 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.248 -0.433 . . . . 21.41 110.728 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.01 78.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.201 -0.454 . . . . 20.15 110.672 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.94 155.96 38.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.206 -0.452 . . . . 19.42 110.575 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.51 134.12 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.199 -0.455 . . . . 18.26 110.073 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 44.5 t -152.3 -49.1 0.11 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.193 -0.458 . . . . 17.23 110.604 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.14 133.63 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.293 -0.412 . . . . 16.38 110.081 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.44 -178.55 32.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.915 -0.874 . . . . 14.42 110.915 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.11 -51.26 0.71 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.003 -0.839 . . . . 12.9 111.003 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -129.04 138.95 52.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.631 0.253 . . . . 12.61 110.566 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.5 165.42 26.42 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.843 -0.903 . . . . 8.77 110.843 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.77 132.51 30.83 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.61 1.54 . . . . 7.53 111.992 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -66.92 -39.52 87.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 8.51 110.769 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.0 m -139.66 150.98 45.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.267 -0.424 . . . . 5.0 110.615 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -124.5 147.95 48.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.176 -0.466 . . . . 3.86 110.474 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 18.29 12.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.267 -0.424 . . . . 1.67 111.696 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -79.49 -59.22 0.6 Allowed Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 121.288 -0.165 . . . . 0.47 111.361 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 27.2 Cg_endo -59.4 -24.82 76.26 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.399 1.399 . . . . 0.44 112.48 -167.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t -64.77 -48.85 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 0.32 110.137 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.785 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 0.24 110.73 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.14 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 0.18 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 0.17 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 2.91 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 0.16 110.272 170.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.25 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.58 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 0.41 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.75 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.37 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.68 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 1.87 110.987 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.21 110.15 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.19 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.18 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.196 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 0.95 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.23 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 0.21 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.22 110.873 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.31 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.837 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 0.51 111.482 -173.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.56 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 0.75 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.19 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 0.21 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 0.98 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.66 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 0.29 110.906 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.634 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.01 110.644 -177.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.25 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.39 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 0.23 110.587 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 0.16 110.601 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.08 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 0.93 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 0.22 110.302 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 0.29 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.591 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.23 110.904 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.19 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 86' ' ' ASN . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 0.21 110.857 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.14 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.629 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.11 110.654 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 0.15 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 0.18 110.767 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.043 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.497 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.1 110.718 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.23 111.624 -173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 0.48 111.03 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' B' ' 44' ' ' LEU . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 0.13 109.694 174.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.491 HG13 HD11 ' A' ' 106' ' ' LEU . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 0.09 109.823 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.717 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.27 111.314 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 0.15 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' A' ' 106' ' ' LEU . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.11 111.032 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 103' ' ' VAL . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.14 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 0.16 111.298 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.87 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.28 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.409 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.14 110.868 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.09 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.06 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.21 110.549 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.67 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.21 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 0.18 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.17 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 0.19 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 1.22 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.538 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.308 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.64 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 0.44 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.583 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.788 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.491 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.27 111.207 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.28 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.7 mp -94.65 -9.02 36.24 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 0.87 111.996 -175.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.51 -36.09 70.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.067 -0.253 . . . . 1.16 110.695 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.977 -1.457 . . . . 2.35 110.942 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.339 -0.615 . . . . 36.65 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.02 53.89 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.234 -0.439 . . . . 37.14 110.607 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -116.86 33.45 5.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.165 -0.471 . . . . 36.26 110.736 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -95.28 143.05 26.98 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.307 -0.406 . . . . 36.12 110.518 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.42 161.17 25.3 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 35.35 110.443 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.38 141.97 5.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.931 -0.868 . . . . 34.84 110.931 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.98 -177.01 50.06 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 34.37 110.879 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.88 -35.93 82.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.615 0.245 . . . . 34.86 110.878 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -113.0 150.76 31.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.199 -0.455 . . . . 33.57 110.565 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -106.29 152.51 23.45 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.218 -0.447 . . . . 32.05 110.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.19 35.87 29.04 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.019 -0.832 . . . . 30.8 111.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.67 -37.4 87.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.612 0.244 . . . . 30.94 110.706 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.33 111.73 0.5 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.954 -0.858 . . . . 29.08 110.954 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -66.49 -33.96 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.517 0.199 . . . . 27.99 110.912 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.0 160.34 34.84 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.392 -0.367 . . . . 27.87 110.593 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.12 -115.07 0.49 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 26.05 110.971 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.74 96.35 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.643 0.259 . . . . 24.72 111.019 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.71 145.43 52.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.163 -0.471 . . . . 23.32 110.598 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -143.28 161.23 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.553 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.11 149.86 35.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.244 -0.435 . . . . 21.23 110.515 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 159.1 42.04 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.125 -0.489 . . . . 19.47 110.571 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -105.73 132.42 52.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.242 -0.435 . . . . 17.85 110.109 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -144.16 152.41 40.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.244 -0.435 . . . . 14.96 110.566 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -111.81 138.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.267 -0.424 . . . . 14.71 110.095 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.55 -171.1 31.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.885 -0.886 . . . . 11.62 110.885 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.41 -93.16 0.11 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.937 -0.865 . . . . 9.69 110.937 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.49 29.51 4.39 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.641 0.258 . . . . 14.31 111.017 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.38 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 7.32 110.973 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.13 154.47 66.24 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.706 1.604 . . . . 5.74 112.099 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.18 47.66 9.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.222 -0.444 . . . . 8.09 110.973 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 t -116.85 140.48 49.39 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.959 -0.564 . . . . 3.07 110.492 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -134.05 45.42 2.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.09 0.472 . . . . 2.27 110.433 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -84.67 -33.61 23.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.873 -0.603 . . . . 0.79 110.865 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.706 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -62.97 -59.02 13.6 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.376 -0.374 . . . . 0.47 111.535 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 27.7 Cg_endo -59.3 -23.02 68.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.401 1.401 . . . . 0.44 112.576 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG12 HD22 ' B' ' 95' ' ' LEU . 24.4 t -64.1 -48.44 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.31 110.229 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.754 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.14 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.24 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.26 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 2.91 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 0.16 110.398 168.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.35 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.25 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.57 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 0.41 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 0.29 110.71 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.2 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.37 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.043 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 57' ' ' VAL . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 0.21 109.925 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.23 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.18 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 0.15 110.182 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.23 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HD23 ' A' ' 71' ' ' LEU . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 0.21 110.874 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 0.22 111.112 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.31 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' CG ' HD13 ' B' ' 115' ' ' ILE . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.789 HG21 ' CA ' ' B' ' 111' ' ' GLY . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 0.51 111.477 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.56 110.52 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 0.75 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.697 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 0.21 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 60' ' ' LEU . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.874 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 0.98 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.29 110.869 -177.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.01 110.648 -177.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.25 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 0.23 110.592 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 0.16 110.549 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.08 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 0.22 110.319 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.19 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.23 110.998 -175.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.19 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.18 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 86' ' ' ASN . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 0.21 110.698 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.14 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.666 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 0.15 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' B' ' 37' ' ' ALA . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 0.18 110.812 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.62 ' O ' HD23 ' A' ' 100' ' ' LEU . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 0.13 109.942 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.1 110.752 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 0.23 111.893 -173.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.692 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 0.48 110.812 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 0.13 109.858 173.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.09 110.029 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.725 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.27 111.309 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 0.15 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' B' ' 106' ' ' LEU . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 0.11 111.084 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 0.12 110.222 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.14 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 0.16 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 0.16 111.318 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.786 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.28 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.14 111.317 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.09 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' B' ' 113' ' ' SER . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.13 110.414 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.06 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.21 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.67 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 1.26 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.21 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 0.18 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.19 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 1.22 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.461 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.446 173.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.64 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.44 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 0.16 110.646 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.24 111.203 -177.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.774 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 0.23 110.48 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 0.27 111.1 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 0.36 111.419 -173.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.4 mp -94.98 -8.21 37.57 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 0.87 112.191 -174.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.98 -36.34 69.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 121.157 -0.217 . . . . 1.16 110.575 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.982 -1.454 . . . . 2.62 110.899 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.394 -0.595 . . . . 33.16 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.29 150.96 37.59 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.237 -0.438 . . . . 32.82 110.544 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.08 147.85 47.57 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.224 -0.443 . . . . 32.83 110.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.4 mtp -65.41 -35.76 81.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.194 -0.457 . . . . 34.46 110.875 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.77 158.53 43.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.268 -0.423 . . . . 31.75 110.736 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.72 -173.15 48.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.959 -0.856 . . . . 30.32 110.959 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 80.83 0.09 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 29.16 110.85 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.13 -47.42 71.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.533 0.206 . . . . 29.37 110.86 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 -41.48 76.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.294 -0.412 . . . . 29.22 110.726 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -139.67 151.96 46.35 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.219 -0.446 . . . . 27.3 110.526 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.53 -166.26 34.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.858 -0.897 . . . . 26.28 110.858 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -92.51 104.0 16.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.674 0.273 . . . . 27.96 110.511 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.47 94.11 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.071 -0.811 . . . . 25.39 111.071 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.7 m 57.24 30.55 18.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.712 0.291 . . . . 25.26 111.335 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.6 mmt -65.72 -36.72 84.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.369 -0.378 . . . . 25.89 110.765 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.18 34.49 55.03 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.995 -0.842 . . . . 24.22 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.07 144.18 47.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.649 0.261 . . . . 23.68 110.539 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.54 137.57 36.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 22.43 110.566 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.3 t -142.62 147.04 35.15 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.212 -0.449 . . . . 21.41 110.533 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.72 151.99 38.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 20.15 110.573 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.98 -179.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.285 -0.416 . . . . 19.42 111.024 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.1 135.0 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.192 -0.458 . . . . 18.26 110.101 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.4 m -144.27 -56.72 0.37 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.169 -0.469 . . . . 17.23 110.547 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 t 60.27 99.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.243 -0.435 . . . . 16.38 110.613 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.24 -94.76 0.14 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.89 . . . . 14.42 110.876 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.92 -174.07 50.05 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.901 -0.88 . . . . 12.9 110.901 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -93.6 131.8 38.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.7 0.286 . . . . 12.61 110.544 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 148.83 5.31 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.29 -33.29 30.86 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.688 1.592 . . . . 7.53 112.002 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -131.07 151.19 51.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.21 -0.45 . . . . 8.51 110.519 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -126.68 145.74 50.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.216 -0.447 . . . . 5.0 110.53 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -142.48 140.13 31.77 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.172 -0.467 . . . . 3.86 110.347 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -96.41 -37.21 10.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.24 -0.436 . . . . 1.67 111.008 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -65.74 -59.24 9.56 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.381 -0.372 . . . . 0.47 111.484 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 26.1 Cg_endo -59.26 -23.04 67.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.437 1.424 . . . . 0.44 112.574 -168.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.529 HG12 HD22 ' A' ' 95' ' ' LEU . 24.5 t -64.15 -48.31 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 0.32 110.202 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 0.24 110.721 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.14 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 0.24 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 0.18 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 0.17 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.26 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' HA3' ' A' ' 131' ' ' GLY . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 0.16 110.119 168.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.25 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.58 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.734 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 1.87 111.032 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.573 ' O ' HG23 ' B' ' 57' ' ' VAL . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 0.21 110.142 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.19 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.23 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.18 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.608 ' O ' HG23 ' B' ' 61' ' ' VAL . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 0.15 110.198 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 0.95 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.23 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.471 HD21 HD23 ' B' ' 71' ' ' LEU . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.912 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 57' ' ' VAL . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.22 111.008 -175.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.24 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' PRO . . . . . 0.409 ' CG ' HD13 ' A' ' 115' ' ' ILE . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.786 HG21 ' CA ' ' A' ' 111' ' ' GLY . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 0.51 111.379 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.533 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.75 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 0.19 110.715 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.21 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.471 HD23 HD21 ' B' ' 60' ' ' LEU . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.804 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 0.98 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 0.29 110.847 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.645 ' O ' HG23 ' B' ' 79' ' ' VAL . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.762 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.25 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.654 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 0.16 110.603 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 0.93 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 0.22 110.309 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.19 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 0.29 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.27 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.606 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.817 -174.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.19 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.21 110.834 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.19 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.606 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.11 110.619 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 0.15 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 0.18 110.679 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 0.13 109.921 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.557 ' HB3' HG11 ' B' ' 82' ' ' VAL . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.1 110.74 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 0.23 111.692 -173.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 0.48 110.928 -175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 0.13 109.702 173.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.566 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 0.09 109.919 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.285 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 0.15 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 106' ' ' LEU . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 0.11 111.026 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 0.12 110.186 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.14 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 106' ' ' LEU . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 0.16 111.379 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.789 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.28 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.14 111.242 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.09 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 113' ' ' SER . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.13 110.435 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.06 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.21 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 1.26 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.21 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 0.18 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.17 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.12 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 1.22 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.456 ' OG1' HG11 ' A' ' 53' ' ' VAL . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 0.21 110.349 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.64 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 0.44 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.567 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' SER . . . . . 0.404 ' HB2' HD12 ' B' ' 75' ' ' ILE . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.24 111.024 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.776 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.24 110.425 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 0.27 111.15 -175.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 0.36 111.36 -173.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.4 mp -94.66 -8.61 37.38 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 0.87 112.127 -174.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.66 -36.12 70.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.629 0.252 . . . . 1.16 110.658 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.924 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 36.65 109.409 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.95 81.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.257 -0.428 . . . . 37.14 110.749 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -139.8 143.72 37.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.265 -0.425 . . . . 36.26 110.573 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.0 ttp -94.93 135.36 36.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.207 -0.451 . . . . 36.12 110.461 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -122.66 157.1 32.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.239 -0.437 . . . . 35.35 110.514 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.06 -38.61 1.5 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.824 -0.91 . . . . 34.84 110.824 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 34.49 38.75 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.006 -0.837 . . . . 34.37 111.006 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -99.52 28.24 4.76 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.547 0.213 . . . . 34.86 111.098 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -128.43 156.19 43.58 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.689 0.281 . . . . 33.57 110.48 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.82 -36.0 82.91 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.198 -0.456 . . . . 32.05 110.797 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.66 -131.52 1.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.888 -0.885 . . . . 30.8 110.888 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -63.41 -38.09 89.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.673 0.273 . . . . 30.94 110.69 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.39 -169.14 47.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.827 -0.909 . . . . 29.08 110.827 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -146.13 157.11 43.83 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.622 0.249 . . . . 27.99 110.614 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -135.62 164.07 28.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.205 -0.452 . . . . 27.87 110.423 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.26 51.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.967 -0.853 . . . . 26.05 110.967 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.54 80.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.613 0.244 . . . . 24.72 110.779 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.2 87.09 0.83 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.311 -0.404 . . . . 23.32 110.456 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -151.52 166.12 32.13 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 22.02 110.571 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.84 117.83 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.262 -0.426 . . . . 21.23 110.965 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 151.81 46.35 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.117 -0.492 . . . . 19.47 110.639 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.35 133.54 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.232 -0.44 . . . . 17.85 110.14 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -139.57 149.42 43.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 14.96 110.49 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.03 134.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.252 -0.431 . . . . 14.71 110.094 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.58 -124.91 0.17 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.916 -0.874 . . . . 11.62 110.916 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.84 40.36 12.16 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.035 -0.826 . . . . 9.69 111.035 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.64 29.14 4.64 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.64 0.257 . . . . 14.31 111.067 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.96 147.33 7.89 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -81.22 178.85 6.38 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.877 1.718 . . . . 5.74 112.169 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 60.15 81.14 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.144 -0.48 . . . . 8.09 111.09 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.0 t -71.02 149.13 46.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 3.07 110.448 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 34.7 t -129.27 49.04 2.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.09 0.471 . . . . 2.27 110.491 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -90.01 -35.52 15.47 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.93 -0.577 . . . . 0.79 110.76 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -65.15 -59.18 10.45 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.367 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 Cg_endo -56.14 -20.53 31.4 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.622 1.548 . . . . 0.44 112.89 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 32' ' ' SER . 42.5 t -64.4 -51.39 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 0.31 110.156 177.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 0.24 110.777 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.14 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 0.18 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 0.17 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.26 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 2.91 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 0.16 110.434 172.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.35 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.25 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.57 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.41 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 0.29 110.752 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.2 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.37 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.656 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 1.87 111.084 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 0.21 109.926 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.19 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 0.18 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 0.15 110.201 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 0.95 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 0.21 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 0.22 110.99 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.31 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.24 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.868 HG21 ' CA ' ' B' ' 111' ' ' GLY . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 0.51 111.579 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.56 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 0.75 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 0.19 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 0.21 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 0.25 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.29 110.837 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.661 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.25 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.39 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.23 110.598 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 0.16 110.443 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.08 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 0.93 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 0.22 110.371 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.19 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.23 111.057 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.19 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 0.21 110.758 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.19 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.14 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.11 110.708 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.874 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 0.13 110.239 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.579 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.1 111.065 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 0.23 111.639 -172.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 0.48 110.537 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 98' ' ' ALA . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 0.13 109.861 173.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 0.09 110.101 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.75 ' HA ' HG21 ' B' ' 130' ' ' VAL . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.27 111.3 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 0.15 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.11 111.158 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 0.12 110.244 176.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.14 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 0.16 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 106' ' ' LEU . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.16 111.312 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.14 110.868 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.09 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.13 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.06 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.21 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.67 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 1.26 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.21 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 0.18 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.17 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 0.19 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.12 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 1.22 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.463 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 0.21 110.615 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.64 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 0.44 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 0.16 110.685 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.24 111.159 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.775 HG13 ' HB1' ' B' ' 37' ' ' ALA . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 0.23 110.513 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 0.27 111.113 -175.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.28 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 0.36 111.456 -173.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.2 mp -96.09 -8.38 33.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 0.87 112.064 -175.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.91 -36.33 67.26 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.584 0.231 . . . . 1.16 110.527 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.77 0 CA-C-O 117.983 -1.454 . . . . 2.62 110.923 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.457 -0.572 . . . . 33.16 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.01 144.82 54.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 32.82 110.66 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -111.17 141.71 44.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.287 -0.415 . . . . 32.83 110.572 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.2 ttt -150.13 -49.21 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.224 -0.444 . . . . 34.46 110.537 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -65.54 -39.88 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.268 -0.424 . . . . 31.75 110.658 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.24 45.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.984 -0.846 . . . . 30.32 110.984 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -163.45 49.32 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.884 -0.886 . . . . 29.16 110.884 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.71 128.11 42.3 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.639 0.256 . . . . 29.37 110.386 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -101.54 144.3 30.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.184 -0.462 . . . . 29.22 110.672 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.89 -34.53 78.35 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.232 -0.44 . . . . 27.3 110.877 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.2 35.19 9.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.058 -0.817 . . . . 26.28 111.058 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -134.67 145.34 48.46 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.641 0.258 . . . . 27.96 110.433 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -35.55 4.16 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.988 -0.845 . . . . 25.39 110.988 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.8 t -126.37 140.5 52.45 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.63 0.253 . . . . 25.26 110.463 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.79 127.28 41.69 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.2 -0.455 . . . . 25.89 110.558 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -176.62 47.12 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.958 -0.857 . . . . 24.22 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.67 117.03 27.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.633 0.254 . . . . 23.68 110.587 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.16 147.16 37.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.273 -0.421 . . . . 22.43 110.498 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p -139.08 149.77 44.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.206 -0.452 . . . . 21.41 110.602 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.08 33.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 20.15 110.569 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.17 154.89 25.95 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.16 -0.473 . . . . 19.42 110.563 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -104.13 132.82 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.215 -0.448 . . . . 18.26 110.02 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 46.9 m -122.64 149.03 44.56 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.206 -0.452 . . . . 17.23 110.515 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.84 134.36 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.221 -0.445 . . . . 16.38 110.095 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.69 68.9 0.06 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.991 -0.843 . . . . 14.42 110.991 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 178.91 53.22 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.81 -0.916 . . . . 12.9 110.81 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.87 24.14 13.31 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.448 0.166 . . . . 12.61 111.337 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.56 84.74 0.07 OUTLIER Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.204 -0.759 . . . . 8.77 111.204 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.0 97.07 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.654 1.569 . . . . 7.53 111.941 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.28 -35.1 79.52 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.142 -0.481 . . . . 8.51 110.986 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -90.93 135.82 33.49 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.344 -0.389 . . . . 5.0 110.635 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -88.98 -33.36 17.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.153 -0.476 . . . . 3.86 110.966 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -112.81 151.44 30.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 1.67 110.627 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -176.92 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.47 111.158 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 12.1 Cg_endo -55.93 -20.73 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.696 1.597 . . . . 0.44 112.824 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.13 -51.39 69.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 0.32 110.18 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.24 110.701 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 0.18 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 0.17 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 2.91 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 0.16 110.279 172.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.25 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.58 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 0.41 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.638 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 0.29 110.817 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 1.87 111.003 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 0.21 110.018 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.19 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 0.18 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.604 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 0.15 110.261 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 0.95 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.23 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.21 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 57' ' ' VAL . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 0.22 110.913 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.31 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 0.51 111.554 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.56 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 0.75 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 0.19 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 0.21 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 0.25 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.18 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.98 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 0.29 110.897 -177.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.653 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.25 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.23 110.544 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 0.16 110.502 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.08 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 0.93 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 0.22 110.422 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 0.29 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.23 110.929 -174.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.19 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.18 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 0.21 110.897 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.19 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.14 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.11 110.668 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.647 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.18 110.802 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.102 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.571 ' HB3' HG11 ' B' ' 82' ' ' VAL . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.1 110.96 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 0.23 111.429 -172.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 0.48 110.855 -176.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 0.13 109.77 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.743 ' O ' HG23 ' B' ' 107' ' ' VAL . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 0.09 109.944 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.733 ' HA ' HG21 ' A' ' 130' ' ' VAL . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.268 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 0.15 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.535 ' CD1' HG13 ' A' ' 103' ' ' VAL . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 0.11 111.0 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.12 110.325 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.14 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 0.16 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.418 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 0.16 111.328 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.868 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.28 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.418 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.14 110.94 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.09 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 0.13 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.06 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.21 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 0.18 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.17 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 0.19 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.12 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.22 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.444 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 0.21 110.42 174.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 0.44 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 0.16 110.672 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' SER . . . . . 0.431 ' HB2' HD12 ' B' ' 75' ' ' ILE . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.24 110.9 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 37' ' ' ALA . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 0.24 110.483 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.27 111.123 -175.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.28 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 0.36 111.361 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.2 mp -95.64 -9.05 33.1 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 0.87 112.022 -175.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.51 -36.14 68.29 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.637 0.256 . . . . 1.16 110.666 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.898 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.435 -0.58 . . . . 36.65 109.435 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.44 80.17 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.158 -0.474 . . . . 37.14 110.754 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t 59.68 178.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.371 -0.377 . . . . 36.26 110.996 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -122.99 167.39 13.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.171 -0.468 . . . . 36.12 110.521 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -118.19 162.85 17.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.189 -0.459 . . . . 35.35 110.466 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.73 -176.91 51.72 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.958 -0.857 . . . . 34.84 110.958 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -171.48 40.62 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.019 -0.832 . . . . 34.37 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.68 148.07 48.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.693 0.283 . . . . 34.86 110.515 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.54 -37.1 86.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.176 -0.465 . . . . 33.57 110.774 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.9 mtp -92.15 138.01 31.89 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.243 -0.435 . . . . 32.05 110.492 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.98 -173.96 46.12 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 30.8 111.045 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.42 146.26 34.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.574 0.226 . . . . 30.94 110.557 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.65 -163.07 13.5 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.882 -0.887 . . . . 29.08 110.882 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.0 p -100.03 30.79 3.58 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.657 0.265 . . . . 27.99 111.002 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp 59.07 32.17 21.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.782 0.325 . . . . 27.87 111.233 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.5 -174.56 35.63 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.906 -0.878 . . . . 26.05 110.906 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.15 83.72 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 24.72 110.639 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.88 149.57 27.47 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.137 -0.483 . . . . 23.32 110.471 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -142.52 133.87 26.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 22.02 110.635 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.51 -65.05 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.234 -0.439 . . . . 21.23 110.584 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.99 153.92 23.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.235 -0.439 . . . . 19.47 110.52 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.35 128.85 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.322 -0.399 . . . . 17.85 110.137 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.19 153.53 45.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 14.96 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -114.46 135.31 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.2 -0.454 . . . . 14.71 110.06 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.83 -135.09 24.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 11.62 110.915 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.1 35.5 38.3 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.959 -0.857 . . . . 9.69 110.959 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.94 31.51 5.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.657 0.265 . . . . 14.31 110.83 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.77 63.06 3.32 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.821 -0.912 . . . . 7.32 110.821 -178.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.99 145.24 49.55 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.78 1.653 . . . . 5.74 112.163 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.89 49.64 0.92 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.093 -0.503 . . . . 8.09 110.244 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 t -54.29 -68.96 0.14 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.872 -0.604 . . . . 3.07 111.555 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.1 p -170.04 79.65 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.968 0.413 . . . . 2.27 110.842 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -71.99 -30.48 65.29 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.128 -0.487 . . . . 0.79 111.046 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -55.76 -59.26 11.96 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.495 -0.32 . . . . 0.47 111.767 -177.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 14.3 Cg_endo -56.47 -19.99 31.42 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.578 1.519 . . . . 0.44 112.882 -174.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG12 HD22 ' B' ' 95' ' ' LEU . 22.5 t -63.87 -50.69 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 0.31 110.235 177.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.792 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 0.24 110.756 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.14 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 0.24 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 0.17 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.26 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 2.91 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 0.16 110.283 168.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.35 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.25 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.57 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 0.41 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.68 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.2 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.37 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.689 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 1.87 111.116 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.23 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 0.18 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 0.15 110.265 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 0.21 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.946 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.665 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 0.51 111.686 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.56 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 0.75 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 0.19 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 0.21 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 0.25 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.18 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 0.98 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.871 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.01 110.709 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.25 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.39 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 0.23 110.53 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 0.16 110.519 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.08 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 0.93 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 0.22 110.324 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.19 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 0.29 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.27 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.576 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.23 110.957 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.19 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.18 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 0.21 110.658 -177.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.19 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.14 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.698 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 0.15 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.675 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.18 110.947 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 0.13 110.184 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.818 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.1 111.018 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 0.23 111.72 -172.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 0.48 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 44' ' ' LEU . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 0.13 109.949 173.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' B' ' 103' ' ' VAL . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 0.09 109.96 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.731 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.27 111.327 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 0.15 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' B' ' 106' ' ' LEU . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 0.11 111.291 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 0.12 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.14 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 0.16 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 0.16 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.28 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.14 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.09 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.13 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.06 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.21 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.67 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 1.26 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.21 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 0.18 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.17 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 0.19 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.12 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 1.22 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.579 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 0.21 110.487 174.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.64 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 0.44 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 0.16 110.721 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.24 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 0.23 110.451 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 0.27 111.09 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 0.36 111.445 -173.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp -95.09 -8.22 37.21 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 0.87 112.174 -175.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.9 -36.24 69.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.643 0.258 . . . . 1.16 110.56 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.971 -1.46 . . . . 2.62 110.922 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 33.16 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.54 82.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.273 -0.421 . . . . 32.82 110.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -138.86 141.42 38.63 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.242 -0.436 . . . . 32.83 110.516 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.84 -36.46 83.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.193 -0.458 . . . . 34.46 110.82 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -136.76 158.5 44.3 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.208 -0.451 . . . . 31.75 110.676 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.79 -165.79 42.41 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.948 -0.861 . . . . 30.32 110.948 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.99 114.74 0.73 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 29.16 110.931 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.45 -37.07 85.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.658 0.266 . . . . 29.37 110.782 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -115.36 152.89 32.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.249 -0.432 . . . . 29.22 110.559 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.7 mtp -98.24 155.41 17.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.173 -0.467 . . . . 27.3 110.52 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.56 37.63 23.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.9 -0.88 . . . . 26.28 110.9 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -69.53 151.99 45.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.674 0.273 . . . . 27.96 110.516 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.65 -171.01 26.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 25.39 110.922 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t 67.95 -67.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.44 0.162 . . . . 25.26 110.906 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.94 -36.07 83.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.598 -0.274 . . . . 25.89 110.814 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.61 -114.99 2.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 24.22 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.06 165.6 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.69 0.281 . . . . 23.68 111.048 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.82 139.34 50.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.124 -0.489 . . . . 22.43 110.594 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -126.07 147.6 49.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.174 -0.466 . . . . 21.41 110.531 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.13 121.36 30.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.183 -0.462 . . . . 20.15 110.558 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.37 154.56 34.74 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.242 -0.435 . . . . 19.42 110.613 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.77 133.08 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.234 -0.439 . . . . 18.26 110.035 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -124.43 147.55 48.21 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.239 -0.437 . . . . 17.23 110.615 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.49 157.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.208 -0.451 . . . . 16.38 110.573 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.21 -43.7 1.26 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.921 -0.872 . . . . 14.42 110.921 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.05 -128.35 25.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.982 -0.847 . . . . 12.9 110.982 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -116.74 139.05 51.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.616 0.246 . . . . 12.61 110.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.05 66.86 2.16 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.978 -0.849 . . . . 8.77 110.978 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.61 147.38 86.24 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.775 1.65 . . . . 7.53 112.007 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -93.55 132.97 37.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.228 -0.442 . . . . 8.51 110.62 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 m -157.29 95.17 1.45 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.226 -0.443 . . . . 5.0 110.532 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.37 152.93 37.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.216 -0.447 . . . . 3.86 110.595 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.2 t -105.09 139.7 39.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.179 -0.464 . . . . 1.67 110.471 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.7 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.78 -60.17 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.208 -0.451 . . . . 0.47 111.36 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.14 -20.18 29.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 121.611 1.54 . . . . 0.44 112.822 -173.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 95' ' ' LEU . 22.8 t -63.79 -50.6 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 0.32 110.161 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.761 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.14 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 0.24 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 0.17 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.26 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 2.91 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 0.16 110.085 168.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.25 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.58 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 0.41 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 0.29 110.814 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.2 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.696 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 1.87 111.004 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.21 110.074 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.19 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.23 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 0.18 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.15 110.258 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.23 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.934 -175.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.31 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.24 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.678 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 0.51 111.637 -173.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.56 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 0.75 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 0.19 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 0.25 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.18 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 0.29 110.832 -177.14 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.01 110.725 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.25 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.39 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.753 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 0.23 110.608 -176.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 0.16 110.568 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.08 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 0.22 110.368 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.19 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.877 -174.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.19 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.21 110.823 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.19 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.14 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.598 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.11 110.687 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 0.15 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.664 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 0.18 110.772 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 0.13 110.136 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.1 110.887 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 0.23 111.535 -173.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 0.48 110.958 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 0.13 109.8 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 103' ' ' VAL . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 0.09 109.817 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.758 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.245 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 0.15 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 106' ' ' LEU . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.11 111.092 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 0.12 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.14 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 0.16 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 0.16 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.665 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.28 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.14 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.09 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 0.13 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.06 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.21 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.67 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 1.26 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.21 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 0.18 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.17 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.19 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.12 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 1.22 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.574 ' OG1' HG11 ' A' ' 53' ' ' VAL . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 0.21 110.451 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.64 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 0.44 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 0.16 110.622 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.411 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.24 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.766 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.484 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 0.27 111.11 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.28 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.458 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.299 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.792 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp -94.76 -8.81 36.5 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 0.87 112.078 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.54 -36.15 70.88 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.607 0.242 . . . . 1.16 110.6 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.955 -1.47 . . . . 2.35 110.95 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.404 -0.591 . . . . 36.65 109.404 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.63 95.65 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.192 -0.458 . . . . 37.14 110.61 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -164.15 -46.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 36.26 110.551 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -99.31 151.32 21.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.219 -0.446 . . . . 36.12 110.566 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -75.84 138.75 41.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.219 -0.446 . . . . 35.35 110.471 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.51 49.09 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.919 -0.872 . . . . 34.84 110.919 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.11 -121.22 0.59 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.988 -0.845 . . . . 34.37 110.988 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -103.29 141.44 35.91 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.6 0.238 . . . . 34.86 110.561 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.72 -37.04 85.3 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.273 -0.421 . . . . 33.57 110.854 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -129.67 -64.66 0.87 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.323 -0.398 . . . . 32.05 110.665 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 -170.2 47.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 30.8 110.939 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.9 146.64 51.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.66 0.267 . . . . 30.94 110.544 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.82 -75.67 1.31 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.878 -0.889 . . . . 29.08 110.878 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -70.14 153.63 42.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.665 0.269 . . . . 27.99 110.525 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.1 mmm -133.87 147.69 51.18 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.261 -0.427 . . . . 27.87 110.56 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.11 33.86 58.97 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.135 -0.786 . . . . 26.05 111.135 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -38.15 79.55 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 24.72 110.634 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 162.8 40.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.203 -0.453 . . . . 23.32 110.514 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -113.98 144.29 43.32 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.209 -0.45 . . . . 22.02 110.442 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.62 -79.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.086 -0.506 . . . . 21.23 111.006 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 167.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.751 0.31 . . . . 19.47 111.234 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -124.88 135.58 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 17.85 110.054 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -119.1 145.72 45.71 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.278 -0.419 . . . . 14.96 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -124.14 136.54 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.132 -0.485 . . . . 14.71 110.114 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.63 -73.74 2.17 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.916 -0.874 . . . . 11.62 110.916 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.73 -97.99 0.21 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.979 -0.848 . . . . 9.69 110.979 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -107.71 29.49 7.17 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.603 0.24 . . . . 14.31 111.012 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.49 84.09 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 7.32 110.997 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.03 145.56 85.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.71 1.606 . . . . 5.74 111.988 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -97.52 46.95 1.02 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.171 -0.468 . . . . 8.09 110.59 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 t -75.52 106.99 7.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.996 -0.547 . . . . 3.07 110.552 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -171.9 85.15 0.08 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 2.27 110.416 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -138.05 -48.7 0.55 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.052 -0.522 . . . . 0.79 110.779 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -62.89 -59.14 13.34 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.36 -0.382 . . . . 0.47 111.215 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 15.3 Cg_endo -57.55 -24.29 61.06 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.534 1.49 . . . . 0.44 112.462 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.545 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t -64.64 -48.03 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 0.31 110.199 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 0.24 110.71 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 0.18 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.26 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 2.91 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 100' ' ' LEU . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 0.16 110.347 171.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.35 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.25 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.57 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.721 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.2 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.37 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 1.87 111.074 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 0.21 109.88 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.19 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.23 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 0.15 110.237 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 0.95 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 0.21 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 0.22 110.969 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.31 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.24 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.655 HG21 ' HA2' ' B' ' 111' ' ' GLY . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 0.51 111.503 -173.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.56 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 0.75 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 0.21 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 0.25 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.18 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.98 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.29 110.928 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.01 110.682 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.25 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.39 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.23 110.698 -175.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 0.16 110.519 -177.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.08 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 0.93 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 0.22 110.42 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.643 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.23 111.037 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.19 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.18 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 86' ' ' ASN . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 0.21 110.75 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.19 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.14 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.11 110.687 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 0.15 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.703 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 0.18 110.876 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 0.13 110.163 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 0.1 111.02 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 0.23 111.701 -172.486 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 0.48 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 0.13 110.047 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 0.09 110.178 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.661 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.27 111.286 -178.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.15 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' B' ' 103' ' ' VAL . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 0.11 111.018 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 0.12 110.255 176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.14 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 0.16 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.484 ' C ' HG21 ' B' ' 66' ' ' THR . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 0.16 111.385 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.679 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.28 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.14 110.9 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.09 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.13 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.06 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.21 110.414 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.21 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 0.18 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.17 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 0.19 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.12 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 1.22 111.044 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.533 ' OG1' HG11 ' B' ' 53' ' ' VAL . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.423 173.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.64 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 0.44 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.633 -178.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.24 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 37' ' ' ALA . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 0.23 110.535 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 0.27 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.28 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 0.36 111.421 -174.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.8 mp -99.23 -8.18 25.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 0.87 112.233 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.46 41.21 0.17 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.906 0.384 . . . . 1.16 110.659 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.805 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.951 179.582 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.333 -0.618 . . . . 33.16 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 152.66 39.9 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.224 -0.443 . . . . 32.82 110.579 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -66.48 -34.02 77.0 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.232 -0.44 . . . . 32.83 110.851 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.8 mtm -132.01 158.74 40.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.359 -0.382 . . . . 34.46 110.577 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 m -83.35 137.65 33.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.245 -0.434 . . . . 31.75 110.543 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.99 -176.7 46.18 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 30.32 110.995 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.34 114.53 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.906 -0.877 . . . . 29.16 110.906 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -104.64 129.61 52.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.627 0.251 . . . . 29.37 110.432 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -141.75 36.64 1.62 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.228 -0.442 . . . . 29.22 110.416 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.3 mtp -107.96 172.31 6.91 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 27.3 110.556 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.33 -130.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.156 -0.777 . . . . 26.28 111.156 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 59.55 94.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.683 0.277 . . . . 27.96 110.996 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.08 -170.9 51.65 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 25.39 110.978 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -146.55 158.24 43.87 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.714 0.292 . . . . 25.26 110.577 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.8 mtm -103.95 134.39 47.32 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.217 -0.447 . . . . 25.89 110.523 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.39 -38.36 93.52 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.121 -0.791 . . . . 24.22 111.121 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 144.6 45.77 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.744 0.306 . . . . 23.68 110.587 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.16 145.6 53.17 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.198 -0.456 . . . . 22.43 110.556 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -140.36 -56.81 0.54 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.236 -0.438 . . . . 21.41 110.589 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.39 83.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.281 -0.418 . . . . 20.15 110.714 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.07 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.212 -0.449 . . . . 19.42 111.096 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.32 132.46 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.26 -0.427 . . . . 18.26 110.103 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -123.77 146.95 47.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.477 . . . . 17.23 110.543 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 m -131.53 151.93 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.272 -0.422 . . . . 16.38 110.676 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.54 89.07 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.188 -0.765 . . . . 14.42 111.188 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.64 39.6 11.95 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.936 -0.866 . . . . 12.9 110.936 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.0 -38.08 87.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.67 0.271 . . . . 12.61 110.748 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.58 151.85 22.44 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.869 -0.893 . . . . 8.77 110.869 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.38 137.63 21.15 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.74 1.627 . . . . 7.53 112.056 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.39 -37.28 84.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.2 -0.454 . . . . 8.51 110.744 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -128.25 153.65 46.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.187 -0.46 . . . . 5.0 110.546 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.7 p -64.59 -33.64 76.4 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.243 -0.435 . . . . 3.86 110.921 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -131.4 133.87 45.67 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.291 -0.413 . . . . 1.67 110.441 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -176.19 -59.79 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.228 -0.442 . . . . 0.47 110.964 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 14.1 Cg_endo -57.22 -24.34 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 121.552 1.501 . . . . 0.44 112.46 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 95' ' ' LEU . 22.1 t -64.6 -48.07 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 0.32 110.11 177.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 0.24 110.715 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 0.24 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 0.18 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.26 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 2.91 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' B' ' 100' ' ' LEU . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 0.16 110.238 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.35 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.58 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 0.41 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 0.29 110.756 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.37 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.657 ' NE ' HG22 ' B' ' 82' ' ' VAL . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 1.87 111.03 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 49' ' ' ALA . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 0.21 109.923 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.19 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 0.18 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 61' ' ' VAL . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 0.15 110.212 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 0.95 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.23 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.21 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 57' ' ' VAL . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.901 -175.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.31 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.24 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.679 HG21 ' HA2' ' A' ' 111' ' ' GLY . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 0.51 111.473 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.56 110.651 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 0.75 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.853 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 0.25 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.18 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 0.98 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 0.29 110.956 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.01 110.747 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.25 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.39 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 0.23 110.653 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 0.16 110.612 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.08 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 0.93 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 0.22 110.385 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.19 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 0.29 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.957 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.19 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.18 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' B' ' 86' ' ' ASN . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 0.21 110.809 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.19 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.14 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.11 110.732 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 0.15 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.717 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.819 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 0.13 110.149 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' B' ' 100' ' ' LEU . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 0.1 110.927 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 0.23 111.507 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.554 ' CD1' HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 0.48 110.944 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 0.13 109.874 173.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 0.09 110.052 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.65 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.27 111.224 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 0.15 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 103' ' ' VAL . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 0.11 110.851 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 0.12 110.28 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.14 110.763 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 0.16 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.488 ' C ' HG21 ' A' ' 66' ' ' THR . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 0.16 111.238 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.28 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.14 111.035 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.09 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.06 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.509 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.413 -177.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.67 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 1.26 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.21 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 0.18 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.17 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 0.19 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 1.22 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.527 ' OG1' HG11 ' A' ' 53' ' ' VAL . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.302 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.64 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 0.44 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.661 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 0.16 110.517 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.24 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.78 HG13 ' HB1' ' A' ' 37' ' ' ALA . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 0.24 110.489 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.28 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 0.36 111.259 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.8 mp -99.0 -8.41 25.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 0.87 112.198 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.34 41.21 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.993 0.425 . . . . 1.16 110.633 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.012 -1.438 . . . . 2.35 110.929 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.353 -0.61 . . . . 36.65 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.34 143.24 28.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 37.14 110.608 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -116.28 143.94 44.88 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.224 -0.444 . . . . 36.26 110.574 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.49 -35.06 79.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.27 -0.423 . . . . 36.12 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -116.28 161.79 18.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.368 -0.378 . . . . 35.35 110.516 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.57 -168.41 41.9 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.84 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.5 -64.64 0.48 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.933 -0.867 . . . . 34.37 110.933 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 59.81 34.4 21.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.888 0.375 . . . . 34.86 111.018 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 60.54 41.49 15.51 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.234 -0.439 . . . . 33.57 110.823 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.2 mmm -100.53 165.6 11.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.003 -0.544 . . . . 32.05 110.558 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.12 36.74 17.23 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.983 -0.847 . . . . 30.8 110.983 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -68.41 148.68 50.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.718 0.294 . . . . 30.94 110.659 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.03 119.14 3.51 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.795 -0.922 . . . . 29.08 110.795 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -65.61 -47.22 76.42 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.581 0.229 . . . . 27.99 110.837 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mmm -69.84 -49.37 53.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.282 -0.417 . . . . 27.87 110.584 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.94 33.15 86.48 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.249 -0.74 . . . . 26.05 111.249 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 -64.58 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.582 0.229 . . . . 24.72 110.763 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.2 38.01 2.52 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.251 -0.431 . . . . 23.32 110.539 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -106.48 143.93 33.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.179 -0.464 . . . . 22.02 110.491 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.75 150.67 24.56 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.117 -0.492 . . . . 21.23 110.539 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.89 99.78 5.32 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 19.47 110.496 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -127.71 135.33 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.487 . . . . 17.85 110.047 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -75.22 155.25 37.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 14.96 110.546 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -130.59 136.0 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.23 -0.441 . . . . 14.71 110.123 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.96 48.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.045 -0.822 . . . . 11.62 111.045 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.08 35.81 1.06 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.967 -0.853 . . . . 9.69 110.967 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.11 29.24 7.83 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.6 0.238 . . . . 14.31 110.936 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.11 60.26 6.17 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 7.32 110.998 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.2 149.39 51.6 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.766 1.644 . . . . 5.74 112.135 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -97.38 47.5 1.03 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.155 -0.475 . . . . 8.09 110.407 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.8 t -59.53 -72.17 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.055 -0.52 . . . . 3.07 111.358 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -123.87 47.14 2.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.067 0.46 . . . . 2.27 110.593 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -88.21 -38.64 15.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.953 -0.567 . . . . 0.79 110.503 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.717 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.04 -58.94 8.32 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.097 -0.501 . . . . 0.47 111.55 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 29.3 Cg_endo -59.15 -20.92 56.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.359 1.373 . . . . 0.44 112.715 -164.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HD22 ' B' ' 95' ' ' LEU . 22.3 t -64.61 -52.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.31 110.172 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.24 110.689 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.14 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.18 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.26 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 2.91 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 0.16 110.175 166.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.35 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.25 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.57 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.41 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.29 110.769 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.2 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.37 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.054 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 0.21 110.206 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.19 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.23 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 0.18 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 0.15 110.141 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.23 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 0.21 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 0.22 110.987 -176.106 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.31 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.24 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.735 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 0.51 111.567 -174.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.56 110.801 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 0.19 110.829 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 0.21 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 0.29 110.829 -177.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.01 110.65 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.25 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.39 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.23 110.641 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 0.16 110.592 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.08 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.93 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 0.22 110.374 178.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.19 110.822 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.27 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.554 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.23 110.97 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.19 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.18 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 86' ' ' ASN . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 0.21 110.734 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.19 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.14 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.11 110.736 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.451 HG11 ' OG ' ' A' ' 83' ' ' SER . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 36' ' ' VAL . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 0.18 110.906 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 0.13 110.171 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.1 110.954 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 0.23 111.674 -172.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 0.48 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 0.13 109.994 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 0.09 110.031 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.761 ' HA ' HG21 ' B' ' 130' ' ' VAL . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.27 111.265 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 0.15 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' B' ' 110' ' ' LEU . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.11 111.099 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 103' ' ' VAL . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.14 110.873 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' CD1' HD22 ' B' ' 106' ' ' LEU . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 0.16 111.28 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.28 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.14 110.818 -176.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.13 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.06 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.334 -177.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.67 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 1.26 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.21 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 0.18 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.17 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.19 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.12 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 1.22 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.21 110.54 173.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.64 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 0.44 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 0.16 110.624 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' A' ' 75' ' ' ILE . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.24 111.128 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.777 HG13 ' HB1' ' B' ' 37' ' ' ALA . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 0.23 110.514 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 0.27 111.099 -175.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.28 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.385 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.865 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.2 mp -95.51 -8.27 35.7 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 0.87 112.053 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.47 -36.22 68.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 121.118 -0.233 . . . . 1.16 110.559 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.014 -1.437 . . . . 2.62 110.887 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.392 -0.595 . . . . 33.16 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.02 153.43 40.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 32.82 110.526 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -154.78 -54.52 0.1 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.169 -0.469 . . . . 32.83 110.548 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.37 -36.74 84.91 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.228 -0.442 . . . . 34.46 110.825 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -137.92 153.54 49.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 31.75 110.625 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.45 152.29 0.41 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.971 -0.852 . . . . 30.32 110.971 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.33 49.21 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.868 -0.893 . . . . 29.16 110.868 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -106.73 124.1 49.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.657 0.265 . . . . 29.37 110.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -102.56 127.65 49.54 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.154 -0.476 . . . . 29.22 110.442 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.8 mtp -97.81 142.27 29.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.272 -0.422 . . . . 27.3 110.538 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.62 94.87 0.1 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.86 . . . . 26.28 110.951 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -65.73 -36.28 83.15 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.632 0.253 . . . . 27.96 110.808 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.13 -119.68 1.48 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.903 -0.879 . . . . 25.39 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 84.7 p -69.82 165.2 22.0 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.681 0.277 . . . . 25.26 110.527 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -91.32 151.53 20.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 25.89 110.532 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.91 -172.11 15.99 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 24.22 110.897 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.09 139.39 56.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.634 0.255 . . . . 23.68 110.63 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.71 39.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.456 . . . . 22.43 110.615 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.83 163.23 24.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.252 -0.431 . . . . 21.41 110.512 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.26 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.164 -0.471 . . . . 20.15 111.073 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.32 141.91 40.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.56 -0.291 . . . . 19.42 110.474 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.58 126.43 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.319 -0.4 . . . . 18.26 110.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 34.7 m -90.23 -37.19 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.166 -0.47 . . . . 17.23 110.617 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -120.79 139.72 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.206 -0.452 . . . . 16.38 110.14 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -125.06 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.029 -0.828 . . . . 14.42 111.029 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.56 -179.36 18.63 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.916 -0.874 . . . . 12.9 110.916 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.87 152.28 29.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.655 0.264 . . . . 12.61 110.516 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.26 89.56 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.43 173.57 9.55 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.757 1.638 . . . . 7.53 112.003 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -62.79 -35.48 80.02 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.241 -0.436 . . . . 8.51 110.971 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 88.6 p -130.96 148.76 52.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 5.0 110.492 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -156.67 91.82 1.25 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.249 -0.432 . . . . 3.86 110.411 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -81.15 -35.25 31.75 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.129 -0.487 . . . . 1.67 111.067 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.721 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -64.7 -59.25 10.87 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.639 -175.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 28.6 Cg_endo -58.98 -21.08 56.51 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.452 1.435 . . . . 0.44 112.737 -164.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.575 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t -64.58 -51.92 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 0.32 110.174 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.865 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 0.24 110.676 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.14 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.18 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.26 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 2.91 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 0.16 110.027 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.25 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.58 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 0.41 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.605 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 0.29 110.682 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.2 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.008 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 49' ' ' ALA . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 0.21 110.166 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.665 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 0.15 110.166 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 0.21 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 57' ' ' VAL . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 0.22 110.832 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.31 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.24 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.727 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 0.51 111.525 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.56 110.671 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 0.75 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 0.19 110.808 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 0.25 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.18 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 0.98 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.665 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 0.29 110.803 -177.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.01 110.715 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.25 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.39 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 0.23 110.624 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 0.16 110.609 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.08 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 0.93 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 0.22 110.348 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.447 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.19 110.658 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.29 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.923 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.19 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.18 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 0.21 110.899 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.19 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.14 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.562 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.11 110.712 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.447 HG11 ' OG ' ' B' ' 83' ' ' SER . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 0.15 110.136 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.539 HD22 HG12 ' A' ' 36' ' ' VAL . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.18 110.818 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 0.13 110.121 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.529 ' O ' HD23 ' B' ' 100' ' ' LEU . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.937 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 0.23 111.465 -173.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 0.48 110.96 -176.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 0.13 109.847 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.682 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 0.09 109.898 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.743 ' HA ' HG21 ' A' ' 130' ' ' VAL . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.27 111.267 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 0.15 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 110' ' ' LEU . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 0.11 110.949 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 103' ' ' VAL . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 0.12 110.258 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.14 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 0.16 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 106' ' ' LEU . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 0.16 111.185 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.735 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.28 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.425 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.14 110.94 -176.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 0.13 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.508 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.21 110.442 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 1.26 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.21 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 0.18 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.17 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 0.19 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.81 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 53' ' ' VAL . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 0.21 110.489 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.64 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 0.44 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 104' ' ' SER . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 0.16 110.63 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' B' ' 75' ' ' ILE . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.24 111.025 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 37' ' ' ALA . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 0.24 110.419 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 0.27 111.144 -175.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.36 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.846 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.2 mp -95.02 -9.1 34.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 0.87 112.075 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.88 -36.14 69.98 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 121.115 -0.234 . . . . 1.16 110.618 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.065 -1.408 . . . . 2.35 110.909 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.38 -0.6 . . . . 36.65 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.66 145.79 52.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.219 -0.446 . . . . 37.14 110.548 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -119.64 146.78 45.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.259 -0.428 . . . . 36.26 110.537 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -131.06 154.62 48.05 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.192 -0.458 . . . . 36.12 110.573 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -66.17 -38.12 87.28 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.192 -0.458 . . . . 35.35 110.666 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.03 45.03 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.938 -0.865 . . . . 34.84 110.938 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.65 163.36 27.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.927 -0.869 . . . . 34.37 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -92.11 -67.11 0.87 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.571 0.224 . . . . 34.86 110.66 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -101.75 18.49 20.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.36 -0.382 . . . . 33.57 111.668 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.46 -36.85 79.58 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.024 -0.27 . . . . 32.05 110.732 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.14 166.67 13.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.949 -0.86 . . . . 30.8 110.949 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -66.2 -36.45 83.1 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.62 0.248 . . . . 30.94 110.809 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.58 -175.06 46.31 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.002 -0.839 . . . . 29.08 111.002 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -121.34 149.1 43.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.599 0.238 . . . . 27.99 110.514 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 ptm -129.91 152.21 49.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.237 -0.438 . . . . 27.87 110.548 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.51 -176.1 46.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.995 -0.842 . . . . 26.05 110.995 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.26 146.37 28.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.661 0.267 . . . . 24.72 110.534 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.94 153.87 41.99 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.242 -0.436 . . . . 23.32 110.567 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.44 146.23 48.01 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.526 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.95 153.77 41.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.178 -0.464 . . . . 21.23 110.579 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.83 156.69 43.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.252 -0.431 . . . . 19.47 110.521 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -110.39 131.73 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.23 -0.441 . . . . 17.85 110.138 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -127.12 148.86 50.15 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.221 -0.445 . . . . 14.96 110.557 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.05 134.48 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.191 -0.459 . . . . 14.71 110.063 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.6 -128.93 1.66 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.041 -0.823 . . . . 11.62 111.041 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.03 -34.38 89.78 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.302 -0.719 . . . . 9.69 111.302 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -101.22 32.96 3.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.646 0.26 . . . . 14.31 110.693 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.12 141.96 46.95 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.97 -0.852 . . . . 7.32 110.97 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.61 145.5 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.6 1.534 . . . . 5.74 112.017 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -126.75 47.34 2.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.107 0.48 . . . . 8.09 110.405 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 t -114.37 140.94 48.24 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.931 -0.577 . . . . 3.07 110.449 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.9 44.62 1.18 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.17 0.51 . . . . 2.27 110.539 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 t -67.98 -31.6 71.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.751 -0.658 . . . . 0.79 111.043 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.784 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -57.11 -59.3 13.1 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.489 -0.323 . . . . 0.47 111.605 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.9 Cg_endo -56.54 -23.14 46.54 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.569 1.513 . . . . 0.44 112.769 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HD22 ' B' ' 95' ' ' LEU . 21.3 t -64.29 -47.68 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.31 110.208 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 0.24 110.805 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.14 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.18 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.17 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.26 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 2.91 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 0.16 110.362 171.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.35 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.25 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.57 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.769 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.2 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.37 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 1.87 111.108 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 0.21 109.959 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.19 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.23 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 0.18 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 61' ' ' VAL . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 0.15 110.164 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 0.95 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 0.21 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 0.22 110.97 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.31 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.755 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 0.51 111.663 -173.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.56 110.879 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 0.75 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 0.19 110.758 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 0.25 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.18 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.797 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.01 110.617 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.25 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.39 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.667 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 0.16 110.499 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.08 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 0.93 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 0.22 110.461 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.19 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 0.29 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.27 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.549 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.23 111.011 -174.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.19 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 0.21 110.803 -177.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.19 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.14 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.658 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 0.15 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.84 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 0.13 110.128 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.1 111.008 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' B' ' 96' ' ' VAL . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 0.23 111.672 -172.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 0.48 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 0.13 109.834 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.09 109.876 177.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.786 ' HA ' HG21 ' B' ' 130' ' ' VAL . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.27 111.353 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 0.15 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.11 111.256 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 0.12 110.116 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.14 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.16 110.464 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 0.16 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.747 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.28 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.14 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.09 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.13 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.06 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.21 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.67 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 1.26 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 0.18 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.17 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.12 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 1.22 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.21 110.575 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 0.44 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 0.16 110.71 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.524 ' HB2' HD12 ' A' ' 75' ' ' ILE . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.24 111.239 -176.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.731 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 0.23 110.438 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 0.27 111.147 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.28 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.832 HD22 ' HB3' ' B' ' 37' ' ' ALA . 9.7 mp -95.67 -7.99 35.98 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 0.87 112.27 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -70.2 -36.33 74.51 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.036 -0.266 . . . . 1.16 110.593 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.969 -1.462 . . . . 2.62 110.911 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.302 -0.629 . . . . 33.16 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 123.77 4.89 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.205 -0.452 . . . . 32.82 110.573 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -168.93 -47.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.232 -0.44 . . . . 32.83 110.571 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.7 mmm -130.57 159.22 37.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.214 -0.448 . . . . 34.46 110.574 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -89.11 140.1 29.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.225 -0.443 . . . . 31.75 110.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.9 -126.83 21.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.96 -0.856 . . . . 30.32 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.1 65.93 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.899 -0.88 . . . . 29.16 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -141.52 164.93 28.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.614 0.245 . . . . 29.37 110.717 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.16 148.69 21.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.205 -0.452 . . . . 29.22 110.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.28 -35.47 80.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.126 -0.488 . . . . 27.3 110.922 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -161.99 35.54 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.767 -0.933 . . . . 26.28 110.767 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -63.36 -41.13 98.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.622 0.249 . . . . 27.96 110.652 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.42 51.18 33.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.064 -0.814 . . . . 25.39 111.064 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -69.43 147.86 50.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.609 0.242 . . . . 25.26 110.625 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.31 -36.64 79.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.449 . . . . 25.89 110.847 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.51 -69.33 1.24 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.115 -0.794 . . . . 24.22 111.115 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.49 94.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.779 0.324 . . . . 23.68 110.971 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.59 30.62 20.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.362 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -67.44 -36.32 80.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.413 -0.358 . . . . 21.41 110.814 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.15 173.58 12.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.249 -0.432 . . . . 20.15 110.543 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.91 79.29 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.208 -0.451 . . . . 19.42 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -117.16 132.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.399 . . . . 18.26 110.037 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -146.75 34.76 0.93 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.257 -0.429 . . . . 17.23 110.671 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.18 136.18 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 16.38 110.08 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.06 -163.79 34.84 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.996 -0.842 . . . . 14.42 110.996 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.14 147.64 22.56 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.891 -0.884 . . . . 12.9 110.891 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -125.88 147.01 49.59 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.663 0.268 . . . . 12.61 110.64 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.98 154.16 19.26 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.768 -0.933 . . . . 8.77 110.768 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -65.5 -65.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.637 1.558 . . . . 7.53 112.045 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -147.88 -67.92 0.24 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.449 -0.341 . . . . 8.51 110.508 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t 56.86 28.14 14.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 5.0 111.508 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -151.9 161.48 42.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.521 -0.309 . . . . 3.86 110.656 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -149.03 94.02 2.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.396 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.774 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -177.52 -60.11 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.205 -0.452 . . . . 0.47 111.119 -178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.485 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.16 -23.36 44.52 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 121.621 1.547 . . . . 0.44 112.719 -176.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.643 HG12 HD22 ' A' ' 95' ' ' LEU . 21.3 t -64.12 -47.62 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 0.32 110.258 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.832 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 0.24 110.761 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 0.18 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 0.17 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 2.91 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 0.16 110.128 171.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.35 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.25 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.58 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 0.41 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.29 110.784 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.2 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.672 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 1.87 110.99 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 0.21 110.097 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.19 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 0.15 110.194 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.23 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 0.21 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 0.22 110.948 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.31 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.747 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 0.51 111.509 -173.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.56 110.813 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.75 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 0.19 110.829 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 0.21 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 0.25 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.18 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 0.98 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 0.29 110.837 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.637 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.01 110.755 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.25 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.39 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.655 -175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 0.16 110.531 -177.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.93 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 0.22 110.385 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.19 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 0.29 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.871 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.19 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 0.21 110.885 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.19 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.14 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.617 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.11 110.676 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.18 110.79 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.074 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.551 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 0.1 110.948 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 96' ' ' VAL . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 0.23 111.497 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 0.48 110.945 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 0.13 109.781 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 0.09 109.77 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.776 ' HA ' HG21 ' A' ' 130' ' ' VAL . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.27 111.35 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 0.15 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 0.11 111.124 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 0.12 110.202 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.14 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.327 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 0.16 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.28 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.14 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.09 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 0.13 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.06 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.21 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.67 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 1.26 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.21 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 0.18 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.17 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.19 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.12 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 1.22 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 53' ' ' VAL . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.481 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.64 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 0.44 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 0.16 110.647 -176.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' SER . . . . . 0.526 ' HB2' HD12 ' B' ' 75' ' ' ILE . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.24 111.093 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.738 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 0.24 110.391 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.105 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 37' ' ' ALA . 9.7 mp -95.61 -8.36 35.14 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 0.87 112.235 -173.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -69.98 -36.17 74.99 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.98 -0.288 . . . . 1.16 110.618 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.045 -1.42 . . . . 2.35 110.948 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.315 -0.624 . . . . 36.65 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 -78.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 37.14 110.996 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -115.43 143.7 44.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.645 0.26 . . . . 36.26 110.474 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -82.05 113.71 20.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.216 -0.447 . . . . 36.12 110.541 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -38.21 83.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.132 -0.486 . . . . 35.35 110.588 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.92 -176.03 42.88 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.952 -0.859 . . . . 34.84 110.952 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.68 -107.32 3.11 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.897 -0.881 . . . . 34.37 110.897 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -94.36 148.74 21.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.642 0.258 . . . . 34.86 110.504 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -100.89 143.38 31.1 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 33.57 110.586 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.42 -35.93 82.4 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.289 -0.414 . . . . 32.05 110.841 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.65 33.82 37.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.133 -0.787 . . . . 30.8 111.133 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.68 -38.36 89.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 30.94 110.581 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.46 -120.14 3.77 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.97 -0.852 . . . . 29.08 110.97 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -117.37 147.75 42.37 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.696 0.284 . . . . 27.99 110.497 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mtp -64.91 -35.46 81.22 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.175 -0.466 . . . . 27.87 110.957 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.78 -169.92 17.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.012 -0.835 . . . . 26.05 111.012 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.6 153.08 44.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.707 0.289 . . . . 24.72 110.685 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.14 80.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.214 -0.448 . . . . 23.32 110.879 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -118.05 144.12 45.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.29 -0.414 . . . . 22.02 110.497 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.76 66.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.213 -0.449 . . . . 21.23 110.621 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.36 152.51 10.58 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.192 -0.458 . . . . 19.47 110.621 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -122.05 134.47 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.169 -0.469 . . . . 17.85 110.034 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -70.23 100.16 1.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.269 -0.423 . . . . 14.96 110.579 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -129.1 134.53 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.176 -0.465 . . . . 14.71 110.12 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.31 -165.57 45.0 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.933 -0.867 . . . . 11.62 110.933 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.01 -49.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.987 -0.845 . . . . 9.69 110.987 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.65 29.95 5.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.678 0.275 . . . . 14.31 111.019 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.48 85.19 0.73 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.932 -0.867 . . . . 7.32 110.932 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.92 145.33 61.7 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.713 1.608 . . . . 5.74 112.058 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.72 46.77 1.02 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.088 0.471 . . . . 8.09 110.499 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t 59.77 176.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.022 -0.535 . . . . 3.07 110.953 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -166.14 83.42 0.3 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 2.27 110.608 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -146.4 -62.56 0.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.049 -0.523 . . . . 0.79 110.438 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -66.99 -59.26 7.88 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.47 110.879 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 18.3 Cg_endo -58.53 -22.96 62.28 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 121.566 1.511 . . . . 0.44 112.637 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.6 -48.84 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 0.31 110.222 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 0.24 110.783 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.14 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.18 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.26 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 0.16 110.29 170.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.35 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.57 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 0.41 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 0.29 110.754 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.2 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.37 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.662 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 1.87 111.108 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 49' ' ' ALA . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.21 110.298 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.19 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.18 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' VAL . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.164 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 0.21 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 0.22 111.015 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.31 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.24 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 ' CA ' ' B' ' 111' ' ' GLY . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 0.51 111.405 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.56 110.384 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 0.75 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 0.19 110.512 179.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 0.21 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 0.25 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.18 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 0.98 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.927 -176.048 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.01 110.694 -177.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.25 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.39 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.601 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 0.16 110.587 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.08 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 0.93 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 0.22 110.389 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.19 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.29 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.27 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.597 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.23 111.0 -174.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.19 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.18 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' ASN . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 0.21 110.798 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.19 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.11 110.735 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' HD22 ' A' ' 89' ' ' LEU . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 0.15 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 0.18 110.86 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 0.13 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.546 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.1 110.976 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 0.23 111.647 -172.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 0.48 110.543 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 0.13 109.906 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 0.09 110.141 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.673 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.27 111.315 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 0.15 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' B' ' 106' ' ' LEU . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.11 111.172 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 0.12 110.212 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.14 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 0.16 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' B' ' 106' ' ' LEU . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 0.16 111.312 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.721 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.28 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.14 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.09 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.13 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.06 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.21 110.364 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.21 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 0.18 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.17 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 0.19 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.12 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 1.22 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 0.21 110.388 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.64 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 0.44 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 0.16 110.663 -177.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.24 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.753 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 0.23 110.537 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 0.27 111.222 -174.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 0.36 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.1 mp -96.02 -2.42 46.87 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 0.87 112.336 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -70.26 -36.45 74.46 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.625 0.25 . . . . 1.16 110.577 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.62 110.968 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.388 -0.597 . . . . 33.16 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.2 81.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.163 -0.471 . . . . 32.82 110.756 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -145.25 160.95 40.69 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.282 -0.417 . . . . 32.83 110.547 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 8.6 tpt -65.71 -35.5 80.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.17 -0.468 . . . . 34.46 110.846 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -73.3 140.4 46.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.278 -0.419 . . . . 31.75 110.476 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.28 -178.25 51.69 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 30.32 110.955 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.65 135.71 0.4 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.85 -0.9 . . . . 29.16 110.85 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -93.08 117.54 30.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.644 0.259 . . . . 29.37 110.551 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -149.27 163.17 38.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.211 -0.449 . . . . 29.22 110.677 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -128.28 151.64 49.06 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.222 -0.445 . . . . 27.3 110.44 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.33 106.83 3.45 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 26.28 110.987 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -65.6 -35.09 79.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.604 0.24 . . . . 27.96 110.765 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.44 179.2 41.02 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.957 -0.857 . . . . 25.39 110.957 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -122.7 152.0 40.99 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.692 0.282 . . . . 25.26 110.54 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.77 -35.49 80.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.24 -0.437 . . . . 25.89 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.44 114.67 1.33 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.937 -0.865 . . . . 24.22 110.937 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.31 78.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.604 0.24 . . . . 23.68 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 148.05 51.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.259 -0.428 . . . . 22.43 110.752 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.5 p -69.55 165.71 20.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.246 -0.434 . . . . 21.41 110.607 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.26 158.47 38.96 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.224 -0.444 . . . . 20.15 110.508 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.5 52.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.129 -0.487 . . . . 19.42 110.687 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.3 m -68.42 143.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.205 -0.452 . . . . 18.26 110.647 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -110.32 148.52 31.78 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.095 -0.502 . . . . 17.23 110.516 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.32 155.01 34.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.294 -0.412 . . . . 16.38 110.657 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.88 -102.97 0.26 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.872 -0.891 . . . . 14.42 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.67 36.08 2.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.918 -0.873 . . . . 12.9 110.918 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -131.97 138.22 48.21 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.658 0.265 . . . . 12.61 110.504 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.02 159.46 27.42 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.898 -0.881 . . . . 8.77 110.898 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.75 -51.09 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.677 1.584 . . . . 7.53 112.044 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -150.2 -68.23 0.2 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.255 -0.43 . . . . 8.51 110.469 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -139.9 152.65 46.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.314 -0.403 . . . . 5.0 110.56 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -128.15 -67.84 0.79 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.312 -0.404 . . . . 3.86 110.526 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.7 m 57.54 94.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.161 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -175.38 -59.92 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.263 -0.426 . . . . 0.47 110.825 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 16.4 Cg_endo -58.24 -23.24 61.21 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 121.614 1.543 . . . . 0.44 112.585 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.36 -48.84 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 0.32 110.212 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.845 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 0.24 110.754 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.14 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 0.24 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 0.17 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.26 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 2.91 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' B' ' 100' ' ' LEU . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 0.16 110.16 170.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.35 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.25 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.58 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 0.29 110.734 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.2 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.37 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 1.87 111.044 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 0.21 110.307 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.19 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.635 ' O ' HG23 ' B' ' 61' ' ' VAL . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.15 110.169 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 0.95 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.23 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.21 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 0.22 110.964 -175.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.31 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.24 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.721 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 0.51 111.333 -176.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.56 110.373 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 0.75 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.19 110.553 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 0.21 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.18 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.642 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.955 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.01 110.738 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.25 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.39 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 0.23 110.619 -175.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' ILE . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 0.16 110.659 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.08 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 0.22 110.369 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.19 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 0.29 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.27 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.629 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.23 110.854 -173.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.19 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.18 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 86' ' ' ASN . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 0.21 110.876 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.19 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.6 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.11 110.735 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.504 ' OD2' HD22 ' B' ' 89' ' ' LEU . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 0.15 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.793 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 0.13 110.107 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.544 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.731 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.1 110.906 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 0.23 111.458 -172.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 0.48 110.99 -176.452 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 0.13 109.776 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 107' ' ' VAL . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 0.09 109.925 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.66 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.27 111.258 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 0.15 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 103' ' ' VAL . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 0.11 110.977 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 0.12 110.194 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.14 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 106' ' ' LEU . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 0.16 111.313 -176.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.728 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.28 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.14 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.06 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.526 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.322 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.67 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 1.26 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.21 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 0.18 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.17 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 1.22 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 53' ' ' VAL . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 0.21 110.376 173.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.64 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 0.44 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 104' ' ' SER . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 0.16 110.648 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.24 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.745 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.538 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.27 111.147 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.28 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 0.36 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.1 mp -96.01 -2.47 46.81 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 0.87 112.262 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -70.31 -36.19 74.15 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 121.034 -0.266 . . . . 1.16 110.587 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.992 -1.449 . . . . 2.35 111.027 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 36.65 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.49 144.03 29.05 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.254 -0.43 . . . . 37.14 110.532 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -118.58 142.16 47.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.184 -0.462 . . . . 36.26 110.494 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mtp -104.63 147.02 28.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.455 . . . . 36.12 110.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -121.26 137.84 54.5 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.162 -0.472 . . . . 35.35 110.391 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.11 -49.62 0.03 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.923 -0.871 . . . . 34.84 110.923 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 -136.37 2.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.973 -0.851 . . . . 34.37 110.973 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.6 -36.12 83.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.721 0.296 . . . . 34.86 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.41 41.6 15.82 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.22 -0.445 . . . . 33.57 110.855 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.82 -35.87 82.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.133 -0.485 . . . . 32.05 110.86 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.45 145.59 5.33 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.973 -0.851 . . . . 30.8 110.973 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -65.5 -34.81 79.15 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.606 0.241 . . . . 30.94 110.96 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.81 36.48 15.73 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.949 -0.861 . . . . 29.08 110.949 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -64.12 -34.26 77.66 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.585 0.231 . . . . 27.99 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.8 mtp -77.28 144.73 37.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.263 -0.426 . . . . 27.87 110.565 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.58 51.56 0.04 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.884 -0.886 . . . . 26.05 110.884 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.77 78.75 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.621 0.248 . . . . 24.72 110.919 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.71 78.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.353 -0.385 . . . . 23.32 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -83.04 152.79 25.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.283 -0.417 . . . . 22.02 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.88 172.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.199 -0.455 . . . . 21.23 111.093 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.15 154.02 19.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.177 -0.465 . . . . 19.47 110.548 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 t 60.94 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.203 -0.453 . . . . 17.85 110.644 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.4 m -125.68 154.76 41.91 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 14.96 110.575 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.72 137.67 24.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.186 -0.461 . . . . 14.71 110.048 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.54 133.44 32.72 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.076 -0.81 . . . . 11.62 111.076 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.31 -67.54 0.93 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.951 -0.86 . . . . 9.69 110.951 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -100.85 29.9 4.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.617 0.246 . . . . 14.31 111.004 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.18 73.55 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.983 -0.847 . . . . 7.32 110.983 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.4 -169.97 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.789 1.66 . . . . 5.74 112.004 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.61 81.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.25 -0.432 . . . . 8.09 110.902 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t -68.46 154.2 42.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.919 -0.582 . . . . 3.07 110.664 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -105.14 51.84 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.128 0.49 . . . . 2.27 110.499 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -120.34 -53.35 2.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.02 -0.536 . . . . 0.79 110.58 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -66.81 -58.61 9.3 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 0.47 111.252 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.4 Cg_endo -55.44 -21.39 29.9 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 121.504 1.469 . . . . 0.44 112.696 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.16 -47.29 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 0.31 110.182 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.24 110.755 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 0.17 110.81 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 2.91 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 100' ' ' LEU . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 0.16 110.525 171.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.35 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.25 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.57 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 0.41 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 0.29 110.724 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.2 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.37 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 1.87 110.986 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.765 HG11 ' OG1' ' B' ' 127' ' ' THR . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 0.21 110.065 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 0.18 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 0.15 110.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 0.95 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.23 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 0.21 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 0.22 111.004 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.797 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 0.51 111.5 -174.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.56 110.879 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 0.75 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.673 -178.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 0.25 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.18 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 0.98 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 0.29 110.871 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.01 110.676 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.25 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.39 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 0.23 110.575 -176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 0.16 110.493 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.93 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 0.22 110.402 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.19 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 0.29 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.27 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.636 ' HB3' HD12 ' A' ' 89' ' ' LEU . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.23 110.816 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.19 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.18 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 86' ' ' ASN . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 0.21 110.783 -176.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.19 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.14 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.11 110.732 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 0.15 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 0.18 110.792 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.622 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.13 109.982 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.1 110.832 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 0.23 111.826 -172.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 0.48 110.852 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 0.13 109.899 173.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.09 110.031 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.712 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.315 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 0.15 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 0.11 111.064 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 103' ' ' VAL . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 0.12 110.324 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.14 110.963 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 0.16 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 0.16 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.802 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.28 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.14 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.13 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.06 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.21 110.45 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.67 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 1.26 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.21 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 0.18 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 0.19 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.12 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 1.22 111.03 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.766 ' OG1' HG11 ' B' ' 53' ' ' VAL . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 0.21 110.308 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.64 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 0.44 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.719 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.442 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.24 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.786 HG13 ' HB1' ' B' ' 37' ' ' ALA . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 0.23 110.438 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 0.27 110.974 -175.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 0.36 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.67 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.2 mm? -95.4 -8.29 35.99 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 0.87 111.925 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.94 -36.41 67.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.622 0.249 . . . . 1.16 110.543 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.928 -1.485 . . . . 2.62 110.852 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 33.16 109.38 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.33 79.78 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.175 -0.466 . . . . 32.82 110.828 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -64.43 -36.76 85.21 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.277 -0.419 . . . . 32.83 110.921 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.29 123.62 42.48 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.168 -0.469 . . . . 34.46 110.544 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.96 -38.61 82.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.202 -0.453 . . . . 31.75 110.579 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.73 -127.2 5.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.025 -0.83 . . . . 30.32 111.025 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.75 34.88 29.9 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 29.16 111.025 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -65.68 -36.96 85.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.614 0.245 . . . . 29.37 110.689 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -107.83 151.47 25.7 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.172 -0.467 . . . . 29.22 110.525 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt -64.75 -36.17 83.44 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.213 -0.449 . . . . 27.3 110.88 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.56 -113.52 0.57 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 26.28 110.897 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -120.46 147.62 44.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.642 0.258 . . . . 27.96 110.539 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.45 -141.46 4.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.99 -0.844 . . . . 25.39 110.99 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 59.87 95.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.659 0.266 . . . . 25.26 111.008 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.8 mtt -98.8 145.46 26.93 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.213 -0.449 . . . . 25.89 110.598 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.22 38.45 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.867 -0.893 . . . . 24.22 110.867 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.54 149.76 32.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.669 0.271 . . . . 23.68 110.668 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.24 155.45 35.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.12 -0.491 . . . . 22.43 110.376 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.7 m -118.68 129.44 55.29 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.29 -0.414 . . . . 21.41 110.609 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.512 ' O ' HG23 ' B' ' 22' ' ' VAL . . . 55.53 23.52 6.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.127 -0.488 . . . . 20.15 111.758 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.824 0.345 . . . . 19.42 111.274 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 20' ' ' ALA . 22.1 t -112.7 137.64 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.27 -0.423 . . . . 18.26 110.255 -177.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -117.63 149.05 41.33 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.136 -0.484 . . . . 17.23 110.386 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -129.24 158.2 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.219 -0.446 . . . . 16.38 110.687 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.97 -177.53 40.37 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.913 -0.875 . . . . 14.42 110.913 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.02 -49.46 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.912 -0.875 . . . . 12.9 110.912 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -115.43 143.48 45.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.602 0.239 . . . . 12.61 110.506 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.59 -80.5 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.053 -0.819 . . . . 8.77 111.053 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.8 133.17 54.41 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.892 1.728 . . . . 7.53 112.343 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -137.27 33.27 2.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.197 -0.456 . . . . 8.51 110.712 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -64.64 -35.42 80.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 5.0 111.005 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -112.59 154.25 26.3 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.277 -0.419 . . . . 3.86 110.623 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -79.48 154.28 29.0 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.251 -0.431 . . . . 1.67 110.551 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -175.72 -58.87 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.236 -0.438 . . . . 0.47 111.073 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.464 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.2 Cg_endo -55.49 -21.52 30.82 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.586 1.524 . . . . 0.44 112.609 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.612 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.03 -47.17 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 0.32 110.21 176.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 0.24 110.644 178.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.14 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.17 110.607 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 2.91 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.773 HD22 HD12 ' B' ' 100' ' ' LEU . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 0.16 110.335 171.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.35 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.25 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.58 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 0.41 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.613 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 0.29 110.791 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.2 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.37 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.979 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.766 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 0.21 110.033 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.19 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.23 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 61' ' ' VAL . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 0.15 110.159 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 0.95 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 0.21 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.876 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.31 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.24 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.802 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 0.51 111.46 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.709 -179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 0.75 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.775 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 0.25 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.18 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.849 -176.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.686 ' O ' HG23 ' B' ' 79' ' ' VAL . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.01 110.698 -177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.25 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.39 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.73 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 0.23 110.606 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 75' ' ' ILE . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 0.16 110.512 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.08 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 0.93 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 0.22 110.388 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.19 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 0.29 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.652 ' HB3' HD12 ' B' ' 89' ' ' LEU . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.23 110.746 -174.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.19 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.18 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 86' ' ' ASN . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 0.21 110.893 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.19 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.11 110.723 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.63 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 0.18 110.746 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.08 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.541 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.1 110.776 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 0.23 111.574 -172.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.773 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 0.48 111.004 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 0.13 109.738 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.702 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.09 109.891 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.27 111.225 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.15 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.465 HD11 HG13 ' A' ' 103' ' ' VAL . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 0.11 110.913 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 103' ' ' VAL . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 0.12 110.311 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.14 110.917 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 0.16 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 0.16 111.266 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.797 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.28 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.14 110.872 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.09 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 0.13 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.49 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.446 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.67 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 1.26 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.21 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 0.18 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.17 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 0.19 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.12 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.839 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.765 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 0.21 110.283 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 0.44 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.712 HG21 ' HA ' ' A' ' 104' ' ' SER . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 0.16 110.603 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.43 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.24 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 0.24 110.506 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 0.27 111.119 -176.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.28 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.674 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -95.06 -8.85 35.48 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 0.87 111.877 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.56 -36.27 68.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.637 0.256 . . . . 1.16 110.629 177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.957 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.406 -0.59 . . . . 36.65 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.09 142.66 54.41 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.23 -0.441 . . . . 37.14 110.702 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -156.93 -62.23 0.09 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.22 -0.446 . . . . 36.26 110.502 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.1 ttp -66.34 -37.75 86.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.117 -0.492 . . . . 36.12 110.635 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t -139.93 156.57 46.61 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.252 -0.431 . . . . 35.35 110.633 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.39 -69.22 1.04 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.992 -0.843 . . . . 34.84 110.992 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -174.79 50.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.035 -0.826 . . . . 34.37 111.035 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.84 156.78 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.635 0.255 . . . . 34.86 110.508 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.94 -35.5 80.89 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.207 -0.451 . . . . 33.57 110.973 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.6 mtt -93.68 134.15 36.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.235 -0.438 . . . . 32.05 110.528 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.46 177.35 51.73 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.768 -0.933 . . . . 30.8 110.768 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -158.24 153.16 25.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 30.94 110.677 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.42 -76.01 1.03 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.858 -0.897 . . . . 29.08 110.858 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.9 p -77.81 164.31 25.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.689 0.28 . . . . 27.99 110.565 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.65 -35.66 81.73 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.159 -0.473 . . . . 27.87 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.6 -152.6 35.74 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.893 -0.883 . . . . 26.05 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 143.19 55.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.657 0.265 . . . . 24.72 110.577 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.24 85.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 23.32 110.693 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -153.27 164.04 38.82 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.287 -0.415 . . . . 22.02 110.672 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.86 155.79 18.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.182 -0.463 . . . . 21.23 110.516 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.7 29.94 3.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.37 -0.377 . . . . 19.47 111.061 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -130.96 132.04 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.968 -0.382 . . . . 17.85 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -147.54 156.45 42.84 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.212 -0.449 . . . . 14.96 110.591 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.56 134.5 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.167 -0.47 . . . . 14.71 110.065 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.81 -175.47 49.35 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 11.62 110.942 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.15 50.84 6.05 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.973 -0.851 . . . . 9.69 110.973 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -147.08 74.82 1.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.062 0.458 . . . . 14.31 110.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 89.37 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.12 -0.792 . . . . 7.32 111.12 178.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.88 152.03 77.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.683 1.589 . . . . 5.74 111.907 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -147.66 74.83 1.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.21 -0.45 . . . . 8.09 110.503 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -119.41 126.56 51.66 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.044 -0.525 . . . . 3.07 110.48 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -173.69 85.88 0.05 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.234 -0.439 . . . . 2.27 110.51 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -158.87 -47.37 0.06 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.209 -0.451 . . . . 0.79 110.861 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.695 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.04 -59.18 13.09 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.342 -0.39 . . . . 0.47 111.269 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.505 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 14.0 Cg_endo -56.54 -23.48 48.35 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.542 1.495 . . . . 0.44 112.67 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.525 HG12 HD22 ' B' ' 95' ' ' LEU . 23.0 t -64.8 -48.85 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 0.31 110.167 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 0.24 110.759 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 0.18 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.17 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.26 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD22 HD12 ' A' ' 100' ' ' LEU . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 0.16 110.541 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.25 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.57 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 0.41 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 0.29 110.761 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.2 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.37 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 1.87 111.124 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 0.21 110.204 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.19 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 0.15 110.15 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.95 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.23 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.21 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 0.22 111.008 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.24 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.732 HG21 ' N ' ' B' ' 111' ' ' GLY . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 0.51 111.613 -174.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.523 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.56 110.687 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 0.75 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 0.19 110.67 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 0.21 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 0.25 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.18 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 0.98 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.29 110.996 -176.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.01 110.7 -177.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.25 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.39 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.616 -175.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 0.16 110.517 -177.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.93 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 0.22 110.358 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.19 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 0.29 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.27 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.997 -174.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.19 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 0.21 110.779 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.19 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.14 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.61 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.11 110.712 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.896 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.626 ' O ' HD23 ' A' ' 100' ' ' LEU . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 0.13 109.856 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' ' 100' ' ' LEU . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.739 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 0.1 110.752 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 0.23 111.832 -172.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.826 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 0.48 110.93 -175.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 98' ' ' ALA . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 0.13 109.938 174.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 0.09 110.062 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.683 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 111.306 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 0.15 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 0.11 111.091 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 0.12 110.233 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.14 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.16 110.434 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' B' ' 66' ' ' THR . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 0.16 111.386 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.736 ' N ' HG21 ' B' ' 66' ' ' THR . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.404 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.14 110.898 -176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.09 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.13 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.06 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.67 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 1.26 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.21 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 0.18 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.17 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.19 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.12 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 1.22 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.582 ' CG2' HD11 ' B' ' 44' ' ' LEU . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 0.21 110.465 173.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.64 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 0.44 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 0.16 110.698 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.445 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.24 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.465 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 0.27 111.158 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.36 111.441 -173.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.7 mp -96.22 -8.25 33.48 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 0.87 112.197 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.08 -36.15 69.44 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.113 -0.235 . . . . 1.16 110.546 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.96 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tmm? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.268 -0.641 . . . . 33.16 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.38 95.23 2.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.258 -0.428 . . . . 32.82 110.573 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -144.9 150.9 37.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.235 -0.439 . . . . 32.83 110.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -85.67 114.01 22.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.199 -0.455 . . . . 34.46 110.561 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m -68.0 -38.18 82.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 31.75 110.751 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.28 -170.9 47.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.171 -0.772 . . . . 30.32 111.171 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.89 157.05 27.43 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.02 -0.832 . . . . 29.16 111.02 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -96.72 113.28 24.82 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.627 0.251 . . . . 29.37 110.361 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -142.11 139.48 32.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.188 -0.46 . . . . 29.22 110.46 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -135.51 154.73 51.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.246 -0.434 . . . . 27.3 110.566 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.81 175.24 44.84 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.979 -0.849 . . . . 26.28 110.979 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -139.96 152.83 46.65 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.685 0.278 . . . . 27.96 110.592 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.02 -58.86 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.877 . . . . 25.39 110.906 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -65.14 -36.19 83.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.645 0.259 . . . . 25.26 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.81 -36.39 83.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.247 -0.433 . . . . 25.89 110.855 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.34 126.87 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.02 -0.832 . . . . 24.22 111.02 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.43 155.1 39.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.597 0.237 . . . . 23.68 110.517 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.56 34.87 0.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.248 -0.433 . . . . 22.43 110.757 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.0 t -127.48 140.87 51.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.277 -0.42 . . . . 21.41 110.538 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.22 49.56 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.231 -0.44 . . . . 20.15 110.526 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.98 124.84 28.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.228 -0.442 . . . . 19.42 110.571 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.23 138.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.197 -0.456 . . . . 18.26 110.088 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -108.43 147.36 31.74 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 17.23 110.56 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.94 -39.68 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.185 -0.462 . . . . 16.38 110.269 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.53 -178.6 52.05 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.015 -0.834 . . . . 14.42 111.015 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 154.05 141.46 3.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.977 -0.849 . . . . 12.9 110.977 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -127.27 137.14 52.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.574 0.226 . . . . 12.61 110.446 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.48 -168.12 12.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 8.77 111.057 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.98 -29.53 81.98 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 121.771 1.647 . . . . 7.53 112.17 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 62.8 154.8 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.469 -0.332 . . . . 8.51 110.903 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m 60.46 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.253 -0.43 . . . . 5.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -129.27 161.42 30.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.103 -0.499 . . . . 3.86 110.396 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -66.56 121.36 15.17 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 1.67 110.68 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -179.5 -59.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.155 -0.475 . . . . 0.47 110.982 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.502 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.19 -23.57 45.78 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.627 1.552 . . . . 0.44 112.618 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.532 HG12 HD22 ' A' ' 95' ' ' LEU . 23.3 t -64.82 -48.82 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 0.32 110.065 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.68 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 0.24 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 0.17 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 2.91 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.804 HD22 HD12 ' B' ' 100' ' ' LEU . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 171.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.58 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 0.41 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 0.29 110.826 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.679 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 1.87 110.96 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 49' ' ' ALA . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 0.21 110.167 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.23 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 0.18 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.533 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 0.15 110.298 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.23 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.21 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 57' ' ' VAL . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 0.22 110.904 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.31 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.24 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' N ' ' A' ' 111' ' ' GLY . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 0.51 111.541 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.566 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.511 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 0.19 110.662 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 0.25 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.18 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 0.98 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 0.29 110.986 -176.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.639 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.01 110.715 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.25 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 0.23 110.655 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.597 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.08 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 0.22 110.407 178.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.565 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.23 110.869 -174.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.19 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 0.21 110.839 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.19 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.14 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.11 110.62 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 0.15 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.737 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.631 ' O ' HD23 ' B' ' 100' ' ' LEU . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 0.13 109.871 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' B' ' 100' ' ' LEU . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.1 110.76 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 100' ' ' LEU . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.23 111.635 -172.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.804 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.958 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 98' ' ' ALA . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 0.13 109.778 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.953 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.676 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.27 111.203 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 0.15 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 109' ' ' ILE . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 0.11 110.942 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 0.12 110.19 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.14 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 0.16 110.39 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.424 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.16 111.274 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.732 ' N ' HG21 ' A' ' 66' ' ' THR . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.28 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.424 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.14 111.002 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.09 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.13 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.06 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.21 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.67 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 0.18 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.17 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 0.19 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.12 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.578 ' CG2' HD11 ' A' ' 44' ' ' LEU . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 0.21 110.327 173.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 0.44 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.683 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.646 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.801 HG13 ' HB1' ' A' ' 37' ' ' ALA . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.24 110.44 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 0.27 111.139 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 0.36 111.381 -173.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.7 mp -95.97 -8.8 32.79 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -174.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.59 -36.05 70.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.646 0.26 . . . . 1.16 110.656 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.98 -1.456 . . . . 2.35 110.851 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.562 . . . . 36.65 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 144.13 27.4 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.207 -0.451 . . . . 37.14 110.469 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.62 149.69 41.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.124 -0.489 . . . . 36.26 110.611 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.9 mtp -116.95 165.15 13.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.232 -0.44 . . . . 36.12 110.472 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -129.02 155.02 46.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.252 -0.431 . . . . 35.35 110.611 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.0 -172.31 40.64 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.889 -0.884 . . . . 34.84 110.889 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.17 -115.21 1.98 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.813 -0.915 . . . . 34.37 110.813 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -64.33 -35.54 81.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.684 0.278 . . . . 34.86 110.815 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -69.44 148.26 49.81 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.226 -0.443 . . . . 33.57 110.552 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.6 mmt -121.44 157.74 29.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.224 -0.443 . . . . 32.05 110.565 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.95 -175.64 51.11 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.944 -0.862 . . . . 30.8 110.944 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 61.78 151.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.759 0.314 . . . . 30.94 111.153 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 141.58 15.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.941 -0.864 . . . . 29.08 110.941 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -145.82 159.49 43.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 27.99 110.572 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.7 mtm -114.79 140.6 48.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.212 -0.449 . . . . 27.87 110.454 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.92 -157.41 45.22 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.92 -0.872 . . . . 26.05 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.79 142.24 27.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.673 0.273 . . . . 24.72 110.497 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.43 154.58 42.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 23.32 110.572 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -124.61 143.42 50.72 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.218 -0.446 . . . . 22.02 110.493 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.05 83.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.219 -0.446 . . . . 21.23 110.712 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.73 140.52 38.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.266 -0.425 . . . . 19.47 110.565 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.61 130.62 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.197 -0.456 . . . . 17.85 110.121 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -154.51 139.01 16.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 14.96 110.546 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.7 130.92 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.272 -0.422 . . . . 14.71 110.133 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 82.51 0.12 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.091 -0.804 . . . . 11.62 111.091 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.47 55.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.908 -0.877 . . . . 9.69 110.908 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -103.39 33.18 3.44 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 14.31 110.631 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 135.37 44.78 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 111.08 -0.808 . . . . 7.32 111.08 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.63 170.1 18.76 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.7 1.6 . . . . 5.74 112.23 -172.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 60.19 50.33 6.48 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.105 0.478 . . . . 8.09 111.083 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -56.12 -67.27 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.962 -0.563 . . . . 3.07 111.425 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -98.95 46.57 0.98 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.176 0.512 . . . . 2.27 110.454 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -143.54 -48.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.848 -0.615 . . . . 0.79 110.553 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -61.9 -58.32 18.66 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.47 111.19 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 12.7 Cg_endo -55.63 -21.22 30.56 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.547 1.498 . . . . 0.44 112.638 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.31 -48.02 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 0.31 110.213 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 0.24 110.712 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.18 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.17 110.743 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.26 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 2.91 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 100' ' ' LEU . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 0.16 110.481 169.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.35 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.25 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.57 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 0.41 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 0.29 110.679 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.2 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.079 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 49' ' ' ALA . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.23 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 61' ' ' VAL . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 0.15 110.17 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 0.95 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 0.21 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 0.22 110.976 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.31 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.24 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.438 ' CG ' HD13 ' B' ' 115' ' ' ILE . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.842 HG21 ' CA ' ' B' ' 111' ' ' GLY . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 0.51 111.482 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.56 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 0.75 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 0.19 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 0.21 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.18 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 0.98 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.868 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 79' ' ' VAL . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.01 110.673 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.25 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.39 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 0.23 110.624 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 0.16 110.511 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.08 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 0.93 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 177.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.471 ' OG ' HG11 ' A' ' 94' ' ' VAL . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.794 174.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.66 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.965 -174.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.19 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.18 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 86' ' ' ASN . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 0.21 110.771 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.19 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.14 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.11 110.638 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 0.15 110.304 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD22 HG12 ' B' ' 36' ' ' VAL . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 0.18 110.791 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' CYS . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 0.13 110.017 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 0.1 110.824 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' B' ' 100' ' ' LEU . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 0.23 111.815 -172.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 0.48 110.921 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 0.13 109.845 174.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 0.09 110.001 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.774 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.27 111.338 -176.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 0.15 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 0.11 111.253 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 103' ' ' VAL . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 0.12 110.089 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.14 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 0.16 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 0.16 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.85 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.28 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.14 111.124 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.09 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.432 HD13 ' CG ' ' B' ' 65' ' ' PRO . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.13 110.348 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.06 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.402 HG21 ' CG1' ' B' ' 57' ' ' VAL . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.461 -177.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.67 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 1.26 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.21 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 0.18 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.17 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.12 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 1.22 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.624 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 0.21 110.399 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.64 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 0.44 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' B' ' 104' ' ' SER . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 0.16 110.667 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.24 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.736 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 0.23 110.592 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 0.27 110.994 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.28 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 0.36 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.698 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.3 mm? -94.67 -8.4 37.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 0.87 111.911 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.42 -36.45 65.96 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.571 0.224 . . . . 1.16 110.529 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.926 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.389 -0.597 . . . . 33.16 109.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 140.93 32.88 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.216 -0.447 . . . . 32.82 110.49 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -131.13 139.47 49.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.175 -0.466 . . . . 32.83 110.56 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.88 -36.28 82.97 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.224 -0.444 . . . . 34.46 110.787 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.91 160.63 27.08 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.256 -0.429 . . . . 31.75 110.601 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.0 -127.14 24.42 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.013 -0.835 . . . . 30.32 111.013 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.42 173.24 44.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.935 -0.866 . . . . 29.16 110.935 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -65.96 -37.17 85.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.628 0.251 . . . . 29.37 110.801 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -133.78 157.04 46.89 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.217 -0.447 . . . . 29.22 110.576 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.21 -35.56 81.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.227 -0.442 . . . . 27.3 110.876 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.25 30.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.046 -0.821 . . . . 26.28 111.046 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -126.37 145.41 50.46 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.634 0.254 . . . . 27.96 110.423 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.71 24.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.087 -0.805 . . . . 25.39 111.087 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.2 t -145.97 -64.63 0.31 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.6 0.238 . . . . 25.26 110.608 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.253 -0.43 . . . . 25.89 110.755 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.79 -177.19 38.97 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 24.22 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.22 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.639 0.256 . . . . 23.68 110.668 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.83 140.58 48.82 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.174 -0.466 . . . . 22.43 110.505 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 m -66.64 -37.23 84.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.226 -0.443 . . . . 21.41 110.733 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.75 153.94 28.19 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.172 -0.467 . . . . 20.15 110.585 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.1 154.68 17.06 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.21 -0.45 . . . . 19.42 110.531 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.27 136.28 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.184 -0.462 . . . . 18.26 110.032 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.8 p -64.24 -41.93 96.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.321 -0.4 . . . . 17.23 110.966 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.1 154.19 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.285 -0.416 . . . . 16.38 110.621 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.86 33.61 6.28 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.059 -0.816 . . . . 14.42 111.059 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.82 175.85 48.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.863 -0.895 . . . . 12.9 110.863 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -123.82 29.85 6.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.669 0.271 . . . . 12.61 110.93 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.17 65.98 2.55 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.877 -0.889 . . . . 8.77 110.877 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.32 141.34 88.94 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.922 1.748 . . . . 7.53 112.295 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.69 130.75 45.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.186 -0.461 . . . . 8.51 110.561 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -124.99 151.29 45.72 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.14 -0.482 . . . . 5.0 110.438 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -64.8 -34.42 78.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.265 -0.425 . . . . 3.86 110.866 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 26.8 t -154.74 146.95 23.78 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.289 -0.414 . . . . 1.67 110.648 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -174.93 -58.71 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.248 -0.433 . . . . 0.47 111.087 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 11.9 Cg_endo -55.51 -21.34 30.22 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 121.658 1.572 . . . . 0.44 112.555 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.23 -48.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 0.32 110.201 176.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.736 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 0.24 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 0.24 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 0.18 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 0.17 110.677 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.26 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 2.91 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.758 HD22 HD12 ' B' ' 100' ' ' LEU . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 0.16 110.2 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.35 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.25 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.58 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 0.41 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.29 110.728 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.2 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.37 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.675 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 1.87 111.001 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.263 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.23 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 0.18 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 0.15 110.258 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.23 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 0.21 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.22 110.984 -175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.31 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.24 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' PRO . . . . . 0.432 ' CG ' HD13 ' A' ' 115' ' ' ILE . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.85 HG21 ' CA ' ' A' ' 111' ' ' GLY . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 0.51 111.442 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.56 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 0.75 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 0.21 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 0.25 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.18 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 0.98 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 0.29 110.869 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.653 ' O ' HG23 ' B' ' 79' ' ' VAL . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.636 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.25 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.726 ' O ' HG23 ' B' ' 82' ' ' VAL . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.613 -176.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.592 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.08 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.93 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 0.22 110.365 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' SER . . . . . 0.464 ' OG ' HG11 ' B' ' 94' ' ' VAL . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.19 110.636 174.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.27 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.672 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.23 110.894 -174.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.19 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.18 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' B' ' 86' ' ' ASN . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 0.21 110.877 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.19 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.14 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.624 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.11 110.604 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' VAL . . . . . 0.464 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 0.15 110.193 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 36' ' ' VAL . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.18 110.703 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 92' ' ' CYS . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 0.13 109.994 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.502 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.762 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.1 110.752 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 0.23 111.687 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 0.48 111.05 -175.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 0.13 109.721 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 0.09 109.825 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.754 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.27 111.285 -176.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 0.15 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 0.11 111.076 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 0.12 110.138 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.14 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 0.16 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 0.16 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.842 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.28 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.14 111.147 -175.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.09 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 65' ' ' PRO . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 0.13 110.344 -176.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.06 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.21 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.67 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 1.26 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.21 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 0.18 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.17 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 1.22 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.627 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 0.21 110.324 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 0.44 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 0.16 110.603 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.24 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.402 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 135' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 0.27 111.018 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.28 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 0.36 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.692 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.3 mm? -94.3 -9.02 37.33 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 0.87 111.812 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.98 -36.28 67.05 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.157 -0.217 . . . . 1.16 110.609 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.033 -1.426 . . . . 2.35 110.903 -179.947 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 36.65 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.92 87.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.22 -0.446 . . . . 37.14 110.667 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -150.05 150.8 32.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.246 -0.434 . . . . 36.26 110.62 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.4 mtt -68.37 -39.43 81.77 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.271 -0.422 . . . . 36.12 110.67 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.89 -36.99 81.21 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.196 -0.456 . . . . 35.35 110.611 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.77 35.67 24.47 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.942 -0.863 . . . . 34.84 110.942 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.75 139.62 2.8 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 34.37 110.954 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -114.35 154.4 28.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.648 0.261 . . . . 34.86 110.563 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -94.14 118.46 31.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.227 -0.442 . . . . 33.57 110.385 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.4 ttm -68.84 -42.79 76.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.476 . . . . 32.05 110.813 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.63 168.82 28.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.052 -0.819 . . . . 30.8 111.052 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -146.27 160.59 41.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.613 0.244 . . . . 30.94 110.703 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.41 178.67 47.68 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.955 -0.858 . . . . 29.08 110.955 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -126.03 148.68 49.25 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.658 0.266 . . . . 27.99 110.51 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.2 ttp -89.46 123.75 33.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.179 -0.464 . . . . 27.87 110.351 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.94 -159.18 37.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 26.05 110.906 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.39 149.76 43.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.635 0.255 . . . . 24.72 110.568 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.48 33.01 4.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.236 -0.438 . . . . 23.32 110.818 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -128.83 94.0 3.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.345 -0.388 . . . . 22.02 110.613 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.02 26.27 11.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.181 -0.463 . . . . 21.23 111.622 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.49 101.44 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.627 -0.261 . . . . 19.47 111.187 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -117.94 131.32 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.263 -0.426 . . . . 17.85 110.099 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.1 p -169.11 102.58 0.37 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.224 -0.444 . . . . 14.96 110.661 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -125.21 130.32 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.165 -0.471 . . . . 14.71 110.111 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 -175.93 43.6 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.924 -0.87 . . . . 11.62 110.924 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.87 39.59 38.5 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.02 -0.832 . . . . 9.69 111.02 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -102.65 26.96 7.35 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.569 0.224 . . . . 14.31 111.159 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 62.2 5.07 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.141 -0.784 . . . . 7.32 111.141 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.35 148.36 43.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.756 1.637 . . . . 5.74 112.027 -179.113 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 59.46 47.27 11.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.142 0.496 . . . . 8.09 111.036 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 t -138.88 143.13 38.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.945 -0.57 . . . . 3.07 110.532 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -137.65 43.36 2.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.188 0.518 . . . . 2.27 110.439 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -99.52 -33.14 10.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.79 110.832 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -62.35 -59.15 13.73 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.246 -0.434 . . . . 0.47 111.428 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 27.4 Cg_endo -61.69 -24.18 77.3 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.391 1.394 . . . . 0.44 112.519 -169.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.49 -50.28 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.31 110.247 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.24 110.839 178.359 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.14 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 0.24 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.18 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 0.17 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.26 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 2.91 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 0.16 110.458 172.419 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.35 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.25 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.57 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 0.41 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 0.29 110.75 -178.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.2 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' A' ' 82' ' ' VAL . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.032 178.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' ALA . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 0.21 110.01 176.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.19 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.23 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 0.18 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 0.15 110.063 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.23 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.21 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 0.22 110.934 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.31 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.24 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.721 HG21 ' N ' ' B' ' 111' ' ' GLY . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 0.51 111.429 -176.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.568 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.56 110.443 176.587 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 0.75 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 0.19 110.448 179.315 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 129' ' ' MET . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.25 110.68 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.18 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 0.98 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.974 -176.013 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.01 110.776 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.25 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.39 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.23 110.551 -175.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.16 110.545 -177.461 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.08 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 0.22 110.381 178.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.27 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.575 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.23 111.058 -175.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.19 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.18 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.21 110.72 -177.235 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.14 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.11 110.669 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 0.15 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.944 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 0.13 110.136 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.963 -179.056 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 0.23 111.685 -172.744 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 0.48 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 0.13 110.002 173.633 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.114 178.122 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.659 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.27 111.367 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 0.15 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 0.11 111.161 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 0.12 110.248 176.214 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.14 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 0.16 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 0.16 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.733 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.28 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.14 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.09 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.13 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.06 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.21 110.349 -178.007 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.21 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 0.18 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.17 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 0.19 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.12 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 1.22 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.56 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 0.21 110.448 174.065 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.64 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 71' ' ' LEU . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 0.44 110.862 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.66 -177.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.24 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 0.23 110.526 178.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 0.27 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.28 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.805 ' O ' ' HB1' ' B' ' 34' ' ' ALA . 10.4 mp -98.24 -7.89 28.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 0.87 112.176 -174.64 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.08 39.08 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.974 0.416 . . . . 1.16 110.666 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.822 179.599 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.384 -0.599 . . . . 33.16 109.384 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.64 138.99 53.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.243 -0.435 . . . . 32.82 110.594 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -67.36 -35.99 80.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.227 -0.442 . . . . 32.83 110.827 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.34 144.47 48.28 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.291 -0.413 . . . . 34.46 110.557 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.15 144.78 50.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.165 -0.47 . . . . 31.75 110.511 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.1 -135.78 23.14 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.009 -0.837 . . . . 30.32 111.009 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 57.05 2.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.959 -0.856 . . . . 29.16 110.959 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.13 -34.85 79.0 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.632 0.253 . . . . 29.37 110.968 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 61.3 46.16 8.07 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.05 0.452 . . . . 29.22 110.882 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.08 -37.42 87.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.059 -0.518 . . . . 27.3 110.859 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.43 -162.61 47.79 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.956 -0.858 . . . . 26.28 110.956 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -150.67 163.79 37.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.628 0.251 . . . . 27.96 110.679 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.37 171.56 51.72 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.958 -0.857 . . . . 25.39 110.958 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.9 m -66.43 -36.33 82.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 25.26 110.801 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp 59.98 167.08 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.333 -0.394 . . . . 25.89 111.111 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 113.16 3.99 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 24.22 110.905 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.82 81.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.604 0.24 . . . . 23.68 110.659 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.85 32.24 5.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.241 -0.436 . . . . 22.43 110.793 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -65.02 -36.45 84.44 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.403 -0.362 . . . . 21.41 110.834 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.75 102.87 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.286 -0.415 . . . . 20.15 111.089 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.36 -62.68 0.74 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.21 -0.45 . . . . 19.42 110.526 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.8 -39.08 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 18.26 110.156 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.4 p -144.02 164.78 29.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.2 -0.455 . . . . 17.23 110.517 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -103.83 131.64 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.271 -0.422 . . . . 16.38 110.12 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.43 -174.64 47.4 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.973 -0.851 . . . . 14.42 110.973 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.63 -71.25 1.27 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.891 -0.883 . . . . 12.9 110.891 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -115.16 136.8 52.73 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.642 0.258 . . . . 12.61 110.478 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.28 81.32 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 8.77 110.972 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.0 140.38 65.72 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.774 1.649 . . . . 7.53 111.95 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -137.42 163.76 30.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.15 -0.477 . . . . 8.51 110.603 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -69.51 153.48 43.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.252 -0.431 . . . . 5.0 110.462 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -68.24 136.48 53.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.213 -0.448 . . . . 3.86 110.725 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 95.2 p -170.68 -45.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.11 -0.495 . . . . 1.67 110.729 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -73.82 -60.15 1.65 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.3 -0.409 . . . . 0.47 111.229 -177.194 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 26.3 Cg_endo -61.06 -24.4 79.36 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.542 1.495 . . . . 0.44 112.524 -169.769 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.47 -50.21 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 0.32 110.232 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ALA . . . . . 0.754 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.24 110.87 178.334 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.14 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 0.24 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.18 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 0.17 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.26 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 2.91 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 0.16 110.321 172.302 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.25 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.58 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 0.41 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.609 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 0.29 110.789 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.2 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 1.87 111.027 178.715 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.618 ' O ' HG23 ' B' ' 57' ' ' VAL . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 0.21 110.079 176.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.19 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.23 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 0.18 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.634 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.15 110.094 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.95 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 0.21 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 57' ' ' VAL . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 0.22 110.982 -175.703 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.31 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.24 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.733 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 0.51 111.323 -176.701 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.56 110.415 176.563 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 0.75 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.575 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 0.19 110.547 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 0.25 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.18 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 0.98 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' THR . . . . . 0.638 ' O ' HG23 ' B' ' 78' ' ' VAL . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 0.29 110.979 -175.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.62 ' O ' HG23 ' B' ' 79' ' ' VAL . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.01 110.79 -177.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.25 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.39 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.23 110.617 -175.857 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 79' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 0.16 110.579 -177.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.93 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 0.22 110.33 178.517 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.19 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 0.29 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.27 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.23 110.855 -174.83 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.19 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.21 110.843 -177.402 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.14 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 92' ' ' CYS . . . . . 0.596 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.11 110.668 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.676 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 0.18 110.798 -179.428 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 96' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 0.13 110.197 178.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 97' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.1 110.987 -178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 99' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 0.23 111.525 -173.011 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 0.48 111.012 -176.233 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 0.13 109.853 173.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 103' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 0.09 109.979 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 104' ' ' SER . . . . . 0.654 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.226 -178.451 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 0.15 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 106' ' ' LEU . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.11 110.982 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 107' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 103' ' ' VAL . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 0.12 110.142 176.343 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.14 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 0.16 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' GLY . . . . . 0.721 ' N ' HG21 ' A' ' 66' ' ' THR . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.28 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.14 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.09 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 0.13 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' ILE . . . . . 0.511 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.21 110.341 -178.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.67 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 1.26 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.21 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 0.18 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.17 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 0.19 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.12 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 1.22 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 127' ' ' THR . . . . . 0.553 ' OG1' HG11 ' A' ' 53' ' ' VAL . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.376 174.057 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.64 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 0.44 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.16 110.608 -177.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 134' ' ' VAL . . . . . 0.741 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 0.24 110.459 178.533 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 0.27 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.28 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.36 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 138' ' ' LEU . . . . . 0.805 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 10.4 mp -98.28 -7.89 28.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 0.87 112.153 -174.534 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.03 38.84 0.31 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.933 0.396 . . . . 1.16 110.59 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.104 -1.386 . . . . 2.35 110.956 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 0.32 110.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.986 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 0.21 110.732 177.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.34 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 0.31 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 0.22 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 0.2 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.24 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 0.44 110.4 169.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.29 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.21 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.44 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 0.16 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.15 110.749 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.665 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.19 111.128 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.684 HG11 ' OG1' ' B' ' 127' ' ' THR . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 0.15 110.044 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 0.7 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 0.15 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 0.18 110.214 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.23 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.29 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 0.25 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 0.21 110.96 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.1 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.27 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.22 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.34 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.746 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 0.7 111.64 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.1 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.09 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 0.29 110.81 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 0.38 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.25 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.28 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 0.32 110.941 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.04 110.655 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.29 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 0.16 110.625 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 0.16 110.508 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.16 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.06 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 0.18 110.443 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.21 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.23 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.2 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.577 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.25 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.25 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 86' ' ' ASN . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 0.22 110.883 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.16 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.14 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 0.14 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.6 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 0.15 110.986 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 0.12 110.279 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.22 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.1 110.953 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.544 HD22 ' CB ' ' B' ' 100' ' ' LEU . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 0.18 111.642 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 0.34 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 98' ' ' ALA . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 0.12 110.008 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' B' ' 103' ' ' VAL . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.09 109.867 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.33 111.306 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 0.15 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.57 ' HB2' HD13 ' B' ' 106' ' ' LEU . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 0.12 111.212 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 103' ' ' VAL . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 0.15 110.149 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.16 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.17 110.448 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 0.21 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.749 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.29 111.265 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.23 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.15 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.21 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 0.65 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 1.85 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.35 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 1.17 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 0.23 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.27 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 0.22 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.4 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 1.23 110.913 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.689 ' OG1' HG11 ' B' ' 53' ' ' VAL . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.23 110.449 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 1.62 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 0.23 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.15 110.699 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.15 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.25 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 0.18 110.498 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.2 111.136 -175.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.01 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 0.38 111.406 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 1.009 HD22 ' HB3' ' B' ' 37' ' ' ALA . 5.9 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.03 112.064 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 0.32 110.323 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 1.009 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 0.21 110.696 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 0.31 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 0.22 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 0.2 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.18 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.24 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 0.44 110.155 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.29 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.21 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.44 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 0.16 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.68 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 0.15 110.768 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.2 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.26 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.19 111.06 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.689 HG11 ' OG1' ' A' ' 127' ' ' THR . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.15 110.084 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.08 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 0.7 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.15 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.6 ' O ' HG23 ' B' ' 61' ' ' VAL . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 0.18 110.228 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.29 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 0.25 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 57' ' ' VAL . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 0.21 110.875 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.27 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.22 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.34 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.749 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 0.7 111.526 -173.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.1 110.738 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.09 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 0.29 110.835 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 0.29 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.38 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.25 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.28 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 0.32 110.925 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.04 110.748 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.29 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.2 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.72 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.16 110.601 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 0.16 110.613 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.16 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.06 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 0.18 110.435 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.21 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.23 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.2 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.25 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.25 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' B' ' 86' ' ' ASN . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 0.22 110.955 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.16 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.14 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.58 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 0.14 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 37' ' ' ALA . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.15 110.913 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 0.12 110.36 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.568 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.22 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.54 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 0.18 111.511 -172.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.544 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 0.35 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 98' ' ' ALA . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 0.12 109.811 174.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 103' ' ' VAL . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 0.09 109.75 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.724 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.33 111.285 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 0.15 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 106' ' ' LEU . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 0.12 111.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 0.15 110.121 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.16 110.75 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 0.17 110.379 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.746 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.29 111.234 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.23 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.15 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.22 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.65 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 1.85 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.14 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.35 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 0.23 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.27 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.4 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.684 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.23 110.326 173.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 1.62 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 0.23 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.16 110.589 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.15 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.25 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.752 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 0.18 110.48 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.08 -175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.01 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 0.38 111.277 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 37' ' ' ALA . 5.9 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.03 111.959 -176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 95' ' ' LEU . 24.7 t . . . . . 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 0.31 110.245 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' B' ' 95' ' ' LEU . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 0.24 110.768 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.14 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 0.24 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 0.17 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.26 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 2.91 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 0.16 110.259 168.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.35 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.25 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.57 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.41 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.671 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.2 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.37 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.666 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 1.87 111.105 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 0.21 109.94 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.182 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 0.95 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.23 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.21 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 0.22 110.939 -176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.31 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.24 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.807 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 0.51 111.64 -174.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.56 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 0.75 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.18 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 0.98 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 0.29 110.891 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' VAL . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.645 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.25 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.39 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.23 110.7 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 0.16 110.459 -177.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.08 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 0.22 110.37 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.19 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 0.29 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.27 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.556 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.938 -174.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.19 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.21 110.696 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.14 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.685 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 0.18 110.915 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 0.13 110.024 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.1 111.005 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 0.23 111.714 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.48 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 0.13 109.888 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.091 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.746 ' HA ' HG21 ' B' ' 130' ' ' VAL . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.34 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 0.15 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.562 ' HB2' HD13 ' B' ' 106' ' ' LEU . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 0.11 111.188 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 0.12 110.207 176.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.14 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 0.16 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 0.16 111.346 -177.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.812 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.28 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.14 110.814 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.09 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.13 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.06 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.473 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.67 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.21 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 0.18 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.17 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.12 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.467 ' CG2' HG21 ' B' ' 53' ' ' VAL . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.624 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.64 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 0.44 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.67 -177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.24 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.758 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 0.23 110.5 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 0.27 111.292 -176.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 0.36 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' CB ' ' B' ' 37' ' ' ALA . 10.5 mp . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 0.87 112.206 -175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 95' ' ' LEU . 24.6 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 0.32 110.309 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.853 ' HB2' HD11 ' A' ' 95' ' ' LEU . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 0.24 110.709 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.14 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 0.18 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.17 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.26 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 2.91 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 0.16 110.159 168.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.35 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.25 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.58 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 0.41 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 0.29 110.721 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.2 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.684 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 1.87 111.097 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 0.21 109.979 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.19 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.23 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 0.18 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.609 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 0.15 110.154 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 0.95 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.23 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 0.21 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.22 110.931 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.31 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.24 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.812 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 0.51 111.621 -174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 0.75 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 0.25 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.18 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 0.98 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.64 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.836 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' B' ' 79' ' ' VAL . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.7 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.25 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.39 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 0.23 110.668 -175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 0.16 110.548 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.08 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 0.93 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 0.22 110.397 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.19 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 0.29 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.27 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.581 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.23 110.829 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.19 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.18 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 0.21 110.875 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.19 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.14 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.11 110.725 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.18 110.864 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 0.13 110.043 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.584 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.1 110.976 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 0.23 111.503 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 0.48 110.989 -176.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 0.13 109.672 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 0.09 109.93 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' A' ' 130' ' ' VAL . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.27 111.307 -177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 0.15 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 106' ' ' LEU . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 0.11 111.08 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.14 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 0.16 110.469 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.449 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 0.16 111.289 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.807 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.28 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.449 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.14 110.831 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.09 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.21 110.469 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.67 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 1.26 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.21 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 0.18 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.17 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 0.19 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.12 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 1.22 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 53' ' ' VAL . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.478 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 0.44 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.539 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.44 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 0.24 110.445 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 0.27 111.115 -175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.28 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 0.36 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.629 HD22 ' CB ' ' A' ' 37' ' ' ALA . 10.6 mp . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 0.87 112.125 -175.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 95' ' ' LEU . 25.4 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 0.31 110.058 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 0.24 110.807 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.14 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 0.24 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 0.18 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 0.17 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.26 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 2.91 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 127' ' ' THR . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 0.16 110.601 172.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.35 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.25 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.57 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 0.41 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 0.29 110.75 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.2 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.093 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 0.21 109.919 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.19 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.18 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.15 110.17 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 0.95 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.23 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD23 ' A' ' 71' ' ' LEU . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 0.21 111.037 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.22 110.997 -175.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.31 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.24 110.956 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 0.51 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.56 110.875 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 0.75 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.19 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 0.21 110.776 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 60' ' ' LEU . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 0.25 110.811 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.18 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 0.29 110.792 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.01 110.643 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.25 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.39 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 0.23 110.642 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 0.16 110.508 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.08 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 0.93 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 0.22 110.398 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.19 110.836 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.29 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.27 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.598 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.23 110.962 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.19 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 0.21 110.762 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.19 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.566 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.11 110.653 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 0.15 110.363 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' B' ' 37' ' ' ALA . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.884 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 0.13 110.071 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB3' HG11 ' A' ' 82' ' ' VAL . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.1 111.021 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 0.23 111.732 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 0.48 110.525 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 0.13 109.922 173.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' B' ' 103' ' ' VAL . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 0.09 109.985 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.74 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.27 111.408 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 0.15 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 0.11 111.277 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 103' ' ' VAL . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 0.12 110.194 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.14 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.16 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' B' ' 106' ' ' LEU . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.356 -176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.28 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.14 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.09 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.13 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.06 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.21 110.394 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.67 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 1.26 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 0.18 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.17 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 1.22 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.464 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 0.21 110.461 174.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.64 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 0.44 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.716 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.16 110.791 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.428 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.24 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 0.23 110.39 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 0.27 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.28 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 0.36 111.409 -173.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.566 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.9 mp . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 0.87 112.108 -175.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 95' ' ' LEU . 25.0 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 0.32 110.104 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.731 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 0.24 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 0.17 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.26 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 2.91 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 127' ' ' THR . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 0.16 110.41 172.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.35 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.25 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.58 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 0.41 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.848 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.2 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.37 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 1.87 111.022 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 0.21 109.951 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 0.15 110.26 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.23 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 HD23 ' B' ' 71' ' ' LEU . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.998 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 0.22 110.943 -175.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.31 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . 0.451 ' HB3' ' HB2' ' B' ' 70' ' ' ALA . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.24 110.925 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 0.51 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' B' ' 70' ' ' ALA . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.56 110.674 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 0.75 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 0.19 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 67' ' ' ASN . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 0.21 110.776 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.494 HD23 HD21 ' B' ' 60' ' ' LEU . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 0.25 110.757 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.18 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.98 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.29 110.783 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.657 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.01 110.708 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.25 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.39 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 0.23 110.619 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 0.16 110.571 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.08 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 0.93 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 0.22 110.398 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.654 174.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 0.29 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.27 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.613 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.894 -174.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.19 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.18 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.21 110.865 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.19 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.11 110.666 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 0.15 110.312 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.18 110.716 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.13 110.071 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.1 110.878 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 0.23 111.519 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 0.48 110.979 -176.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 0.13 109.821 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 103' ' ' VAL . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 0.09 109.882 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.716 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.27 111.369 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 0.15 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 106' ' ' LEU . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.11 111.121 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 0.12 110.149 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.14 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 0.16 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 106' ' ' LEU . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 0.16 111.368 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.28 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.14 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.09 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.13 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.06 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.529 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.21 110.407 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 1.26 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.21 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 0.18 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.17 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 0.19 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.12 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 1.22 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.452 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 0.21 110.361 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.64 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . 0.407 ' HE2' ' HB3' ' B' ' 129' ' ' MET . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 0.44 110.906 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 104' ' ' SER . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 0.16 110.692 -176.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.765 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 0.24 110.374 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 0.27 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.498 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.258 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.566 HD12 ' N ' ' B' ' 138' ' ' LEU . 6.9 mp . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 0.87 112.036 -175.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 95' ' ' LEU . 40.6 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 0.31 110.015 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.769 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 0.24 110.745 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.14 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 0.24 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 0.18 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 0.17 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.26 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 2.91 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 167.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.35 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.25 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.57 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 0.29 110.755 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.2 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.37 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 1.87 111.152 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 0.21 109.963 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.19 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.18 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 0.15 110.18 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 0.95 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.23 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 0.21 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 0.22 110.974 -175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.31 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.24 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.767 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 0.51 111.463 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 56.7 t30 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.56 110.671 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 0.75 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.19 110.825 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 0.21 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 0.25 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.98 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 0.29 110.835 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 79' ' ' VAL . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.01 110.7 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.25 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.39 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 0.23 110.681 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 75' ' ' ILE . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 0.16 110.448 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.08 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 0.93 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 0.22 110.408 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.19 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.27 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.23 111.002 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.19 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.18 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 86' ' ' ASN . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 0.21 110.726 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.19 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.14 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.584 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 0.18 110.969 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' CYS . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 0.13 110.177 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.532 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 0.1 110.99 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' B' ' 100' ' ' LEU . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 0.23 111.667 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 0.48 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 0.13 109.947 173.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 103' ' ' VAL . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.951 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.729 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.27 111.379 -177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.15 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 0.11 111.161 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 103' ' ' VAL . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 0.12 110.193 176.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.14 110.843 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 0.16 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 0.16 111.39 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.783 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.28 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.14 110.797 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.09 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.13 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.06 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.389 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.67 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 1.26 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.21 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 0.18 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.17 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 0.19 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.12 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.21 110.387 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 0.44 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.669 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.24 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.795 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 0.23 110.494 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 0.27 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.28 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.318 -173.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.1 mp . . . . . 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 0.87 112.059 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.492 HG12 HD22 ' A' ' 95' ' ' LEU . 40.1 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 0.32 110.145 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.795 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.597 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 0.18 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 0.17 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.26 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 2.91 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 0.16 110.145 167.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.35 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.25 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.58 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 0.41 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 0.29 110.846 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.2 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 1.87 111.002 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 0.21 109.967 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.19 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.641 ' O ' HG23 ' B' ' 61' ' ' VAL . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 0.15 110.252 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 0.95 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.23 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.21 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 57' ' ' VAL . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.89 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.31 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.24 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.783 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.51 111.494 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 56.9 t30 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.56 110.598 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 0.75 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 0.19 110.787 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 0.21 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 0.25 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.18 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.769 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.664 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.01 110.715 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.25 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.39 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.23 110.663 -176.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 0.16 110.555 -177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.08 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 0.93 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 0.22 110.355 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.19 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 0.29 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.27 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.566 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.23 110.863 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.19 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 86' ' ' ASN . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 0.21 110.815 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.19 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.14 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.525 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.11 110.645 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 0.18 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 92' ' ' CYS . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 0.13 110.153 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.516 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 0.1 110.939 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 0.23 111.531 -173.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 0.48 110.962 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' B' ' 44' ' ' LEU . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 0.13 109.822 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 0.09 109.833 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.721 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.27 111.294 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 0.15 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 0.11 110.964 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 0.12 110.183 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.14 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 0.16 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.16 111.306 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.767 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.28 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.14 110.882 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.09 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.06 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.511 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.21 110.449 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.67 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 1.26 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.21 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 0.18 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.17 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 0.19 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.12 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 1.22 110.805 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.557 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 0.21 110.329 173.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.64 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 0.44 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 0.16 110.618 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.24 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.769 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.441 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 0.27 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.28 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.333 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.1 mp . . . . . 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 0.87 112.044 -176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.672 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t . . . . . 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 0.31 110.011 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.24 110.99 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.14 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.24 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 0.17 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.26 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 2.91 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 0.16 110.388 168.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.35 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.25 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.57 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 0.41 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 0.29 110.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.2 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.37 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' A' ' 82' ' ' VAL . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 1.87 110.903 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 49' ' ' ALA . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 0.21 109.992 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.19 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.23 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.202 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 0.95 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.23 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.21 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 0.22 110.963 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.31 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.73 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 0.51 111.698 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.56 110.618 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 0.75 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 0.19 110.771 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 0.21 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 0.25 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.18 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 0.98 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 0.29 110.958 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.01 110.73 -176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.25 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.39 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 0.23 110.734 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 0.16 110.388 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.08 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 0.22 110.383 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.19 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 0.29 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.27 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.667 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.23 111.063 -175.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.19 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.18 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ASN . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 0.21 110.791 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.19 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.14 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.63 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.11 110.637 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.556 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 0.15 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.66 HD22 HG12 ' B' ' 36' ' ' VAL . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.955 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 0.13 110.139 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 0.1 110.952 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' B' ' 100' ' ' LEU . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 0.23 111.719 -172.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.519 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 0.48 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 0.13 109.945 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 0.09 109.986 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.688 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.27 111.227 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 0.15 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.539 HD11 HG13 ' B' ' 103' ' ' VAL . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.11 111.193 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 0.12 110.11 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.14 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' HD22 ' B' ' 106' ' ' LEU . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 0.16 111.267 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.28 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.14 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.09 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.13 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.06 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.67 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 1.26 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.21 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 0.18 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.17 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 0.19 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 1.22 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.6 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 0.21 110.367 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.64 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 0.44 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 0.16 110.764 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.24 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' B' ' 37' ' ' ALA . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 0.23 110.433 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 0.27 111.097 -175.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.28 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.419 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.449 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.5 mp . . . . . 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 0.87 112.18 -175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.66 HG12 HD22 ' A' ' 95' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 0.32 110.103 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.24 110.843 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.14 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 0.24 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 0.18 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 2.91 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 0.16 110.239 168.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.35 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.25 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.58 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 0.41 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 0.29 110.748 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.2 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.37 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' B' ' 82' ' ' VAL . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.949 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 49' ' ' ALA . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 0.21 109.984 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 0.18 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 0.15 110.282 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 0.21 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 0.22 110.87 -176.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.24 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 0.51 111.604 -174.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.44 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.56 110.604 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 0.75 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 0.19 110.761 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 0.21 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 0.25 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.18 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 0.29 110.919 -176.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.656 ' O ' HG23 ' B' ' 79' ' ' VAL . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.01 110.735 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.25 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.39 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.762 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.23 110.78 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 0.16 110.449 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.08 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 0.93 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 0.22 110.431 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.19 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 0.29 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.27 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.697 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.845 -174.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.19 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' B' ' 86' ' ' ASN . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 0.21 110.889 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.19 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.14 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.638 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.11 110.646 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.545 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 0.15 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 36' ' ' VAL . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 0.18 110.891 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.216 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.883 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 100' ' ' LEU . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 0.23 111.505 -172.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.52 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 0.48 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 0.13 109.857 172.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 0.09 109.925 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.27 111.157 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 0.15 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 103' ' ' VAL . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.11 111.021 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 103' ' ' VAL . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 0.12 110.176 175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.14 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 0.16 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 0.16 111.154 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.73 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.28 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.14 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.09 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 0.13 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.06 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.21 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.67 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 1.26 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.21 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 0.18 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.17 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 0.19 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.12 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 1.22 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.573 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.329 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.64 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 0.44 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.688 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 0.16 110.588 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.412 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . 0.418 ' HB2' HD12 ' B' ' 75' ' ' ILE . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.24 111.047 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 0.24 110.368 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 0.27 111.058 -175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 0.36 111.402 -173.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 0.87 112.051 -175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 0.31 110.104 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.817 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.14 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 0.24 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.26 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 2.91 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 0.16 110.319 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.35 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.25 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.57 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 0.29 110.727 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.2 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.37 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 1.87 111.174 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 0.21 109.991 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.19 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.23 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 0.18 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 0.15 110.104 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 0.95 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.23 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 0.21 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 57' ' ' VAL . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 0.22 110.922 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.989 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' B' ' 111' ' ' GLY . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 0.51 111.489 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.56 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 0.75 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 0.19 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 0.21 110.881 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 0.25 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 0.98 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 0.29 110.893 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.01 110.705 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.452 ' OG ' ' HB1' ' A' ' 137' ' ' ALA . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.25 110.885 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.39 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.23 110.654 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 0.16 110.503 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.93 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.19 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.23 110.972 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.19 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.18 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.21 110.734 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.19 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.14 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.11 110.687 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.15 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.18 110.909 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' CYS . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 0.13 110.072 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.945 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 0.23 111.635 -172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 0.48 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 0.13 109.875 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 0.09 110.157 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.684 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.27 111.249 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 0.15 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.5 HD11 HG13 ' B' ' 103' ' ' VAL . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 0.11 111.248 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 103' ' ' VAL . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.14 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 0.16 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 0.16 111.25 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.736 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.28 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.14 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.09 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.13 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.06 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.21 110.288 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.67 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 1.26 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.21 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 0.18 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.17 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.19 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.12 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 1.22 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.491 ' OG1' HG11 ' B' ' 53' ' ' VAL . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 0.21 110.474 174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.64 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 0.44 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 0.16 110.704 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.457 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.24 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.23 110.409 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.27 111.096 -175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.28 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.47 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.5 mp . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 0.87 112.169 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 0.24 110.735 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.24 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 0.18 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 0.17 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.26 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 2.91 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 0.16 110.125 168.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.58 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 0.41 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.583 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.758 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.2 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.37 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.693 ' NE ' HG22 ' B' ' 82' ' ' VAL . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.075 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 0.21 110.005 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.19 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.23 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 0.18 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 0.15 110.2 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 0.95 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.23 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.21 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 57' ' ' VAL . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.22 110.823 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.31 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' CA ' ' A' ' 111' ' ' GLY . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 0.51 111.423 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.56 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 0.75 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 0.19 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 0.21 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.98 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.676 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 0.29 110.839 -176.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 79' ' ' VAL . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.01 110.773 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . 0.458 ' OG ' ' HB1' ' B' ' 137' ' ' ALA . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.25 110.881 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 0.23 110.705 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 0.16 110.54 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.08 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 0.22 110.424 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.19 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.29 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.27 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.594 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.23 110.879 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.19 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.18 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 0.21 110.892 -177.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.14 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.584 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.11 110.734 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.15 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 0.18 110.786 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 92' ' ' CYS . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 0.13 110.073 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.928 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 0.23 111.529 -173.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 0.48 110.945 -176.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 0.13 109.802 173.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 0.09 109.994 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.665 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.27 111.316 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 0.15 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.513 HD11 HG13 ' A' ' 103' ' ' VAL . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 0.11 111.021 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 0.12 110.177 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.14 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 0.16 111.331 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.28 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.14 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 0.13 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.06 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.21 110.364 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 0.18 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.17 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.19 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.12 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 1.22 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.492 ' OG1' HG11 ' A' ' 53' ' ' VAL . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 0.21 110.352 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.64 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 0.44 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.16 110.564 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.24 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.449 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.27 111.092 -175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.28 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.477 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 0.36 111.272 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.652 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.5 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 0.31 110.152 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.782 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 0.24 110.825 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.14 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.746 HD22 HD12 ' A' ' 100' ' ' LEU . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 0.16 110.516 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.35 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.25 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.57 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 0.41 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 0.29 110.777 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.2 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.37 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.72 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 1.87 111.011 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 0.21 110.067 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.19 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 0.18 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.167 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.23 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 0.21 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' VAL . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 0.22 111.03 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.31 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.24 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.748 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 0.51 111.574 -172.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 0.75 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 0.25 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.18 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 0.29 110.885 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.01 110.741 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.25 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.39 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 0.23 110.74 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 0.16 110.388 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.08 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 0.93 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 0.22 110.39 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.19 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 0.29 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.27 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.491 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.23 111.026 -174.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.19 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.18 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 86' ' ' ASN . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 0.21 110.807 -176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.19 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.14 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.11 110.772 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 0.15 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 0.18 110.761 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.615 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 0.13 110.003 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HA ' HD21 ' A' ' 100' ' ' LEU . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.1 110.862 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 0.23 111.808 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.746 HD12 HD22 ' A' ' 44' ' ' LEU . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 0.48 110.957 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 0.13 109.864 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 0.09 110.028 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.703 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.28 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 0.15 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 106' ' ' LEU . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 0.11 111.036 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 103' ' ' VAL . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 0.12 110.256 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.14 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.16 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 0.16 111.332 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.76 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.28 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.14 110.82 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.13 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.06 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.21 110.549 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.67 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 1.26 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.21 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 0.18 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.17 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 0.19 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.12 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 1.22 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.547 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 0.21 110.421 173.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.64 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 0.44 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.789 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.462 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.24 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.783 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 0.23 110.482 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.27 111.05 -175.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.28 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 0.36 111.443 -173.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 0.87 112.192 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.589 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.783 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.756 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.18 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.17 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.26 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 2.91 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 HD12 ' B' ' 100' ' ' LEU . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 0.16 110.349 171.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.35 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.25 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.58 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 0.29 110.756 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.2 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.37 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.728 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 1.87 110.877 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 49' ' ' ALA . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 0.21 110.053 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.19 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.23 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.18 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.624 ' O ' HG23 ' B' ' 61' ' ' VAL . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 0.15 110.148 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 0.95 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.23 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 0.21 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 57' ' ' VAL . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.937 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.31 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.76 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 0.51 111.564 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.56 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 0.75 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 0.19 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.25 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.18 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 0.98 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 0.29 110.782 -177.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.697 ' O ' HG23 ' B' ' 79' ' ' VAL . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.01 110.822 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.25 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.39 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.77 ' O ' HG23 ' B' ' 82' ' ' VAL . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.743 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 0.16 110.471 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.08 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.93 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 0.22 110.401 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 0.29 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.27 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.502 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.23 110.901 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.19 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.18 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' B' ' 86' ' ' ASN . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 0.21 110.959 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.19 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.14 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.609 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.11 110.773 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 0.15 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 0.18 110.696 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.619 ' O ' HD23 ' B' ' 100' ' ' LEU . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 0.13 110.005 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.513 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.1 110.873 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 100' ' ' LEU . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 0.23 111.656 -172.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.725 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.923 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 0.13 109.664 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 0.09 109.927 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.27 111.214 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 0.15 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.11 110.939 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.14 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 0.16 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.438 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 0.16 111.27 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.748 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.28 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.438 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.14 110.922 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.09 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.06 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.21 110.501 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.21 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 0.18 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.17 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 0.19 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.12 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 1.22 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.524 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 0.21 110.334 173.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.64 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 0.44 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 104' ' ' SER . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 0.16 110.683 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.461 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.24 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.782 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 0.24 110.418 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 0.27 111.039 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.28 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.528 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.352 -173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 0.87 112.134 -175.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.504 HG12 HD22 ' B' ' 95' ' ' LEU . 24.9 t . . . . . 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 0.31 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.71 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 0.24 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 0.18 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 0.17 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.26 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 2.91 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 0.16 110.286 168.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.35 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.25 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.57 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 0.41 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 0.29 110.754 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.2 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.37 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.708 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 1.87 111.123 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.727 HG11 ' OG1' ' B' ' 127' ' ' THR . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 0.21 110.064 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.19 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 0.18 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.175 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.21 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 0.22 110.976 -175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.31 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.24 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.866 HG21 ' CA ' ' B' ' 111' ' ' GLY . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 0.51 111.537 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.56 110.612 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 0.75 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 0.19 110.693 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.21 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 0.25 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 0.29 110.858 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.01 110.69 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.25 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.39 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.23 110.524 -176.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 0.16 110.471 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 0.93 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 0.22 110.413 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.459 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.19 110.786 175.092 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 0.29 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.27 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.23 110.982 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.19 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 86' ' ' ASN . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 0.21 110.722 -177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.14 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.11 110.639 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.555 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 83' ' ' SER . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.23 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.937 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 0.13 110.178 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 0.1 111.002 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 0.23 111.651 -172.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 0.48 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 44' ' ' LEU . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 0.13 109.936 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 0.09 110.057 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.704 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.27 111.326 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 0.15 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.503 ' HB2' HD13 ' B' ' 106' ' ' LEU . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 0.11 111.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 103' ' ' VAL . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 0.12 110.119 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.14 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 0.16 110.494 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' B' ' 109' ' ' ILE . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.36 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.28 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.14 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.09 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.13 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.06 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.407 HG21 ' CG1' ' B' ' 57' ' ' VAL . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.21 110.501 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.67 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 1.26 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.21 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 0.18 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.17 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.12 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 1.22 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.752 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.47 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.64 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 0.44 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.686 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 0.16 110.631 -178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.448 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.24 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.791 HG13 ' HB1' ' B' ' 37' ' ' ALA . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 0.23 110.511 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 0.27 111.042 -175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.28 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 0.36 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.4 mp . . . . . 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 0.87 112.065 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 95' ' ' LEU . 25.1 t . . . . . 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 0.32 110.169 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.791 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 0.24 110.68 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.14 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.24 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 0.16 110.169 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.35 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.58 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.604 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 0.29 110.69 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.37 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.707 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 1.87 111.032 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.752 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 0.21 110.111 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.19 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 0.18 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 0.15 110.221 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 0.95 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 0.21 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.848 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.31 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.24 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 0.51 111.473 -175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.56 110.553 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 0.19 110.782 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.18 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 0.98 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 0.29 110.874 -176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.673 ' O ' HG23 ' B' ' 79' ' ' VAL . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.733 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.25 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.39 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 0.23 110.494 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 0.16 110.556 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.08 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.93 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 0.22 110.443 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.455 ' HB3' HG11 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.19 110.595 175.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 0.29 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.65 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.23 110.859 -174.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.19 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' B' ' 86' ' ' ASN . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 0.21 110.87 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.14 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' B' ' 96' ' ' VAL . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.6 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.558 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 83' ' ' SER . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 0.15 110.227 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.859 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 0.13 110.205 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' B' ' 82' ' ' VAL . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.1 110.947 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 0.23 111.491 -173.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 0.48 110.932 -176.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.409 ' HG2' HD12 ' B' ' 44' ' ' LEU . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 0.13 109.812 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 0.09 109.859 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.686 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.27 111.191 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 0.15 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 109' ' ' ILE . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 0.11 111.069 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.14 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 0.16 110.406 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 109' ' ' ILE . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 0.16 111.328 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.866 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.28 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.14 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.09 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.13 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.06 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.414 HG21 ' CG1' ' A' ' 57' ' ' VAL . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.21 110.505 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.67 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 1.26 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.21 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 0.18 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.17 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 0.19 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 1.22 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.727 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.375 174.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 0.44 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 0.16 110.598 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.24 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.788 HG13 ' HB1' ' A' ' 37' ' ' ALA . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 0.24 110.511 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 0.27 111.06 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.28 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.36 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.4 mp . . . . . 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 0.87 112.054 -176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HD22 ' B' ' 95' ' ' LEU . 21.8 t . . . . . 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 0.31 110.226 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 0.24 110.702 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 0.24 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.18 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 0.17 110.683 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.26 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 2.91 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 100' ' ' LEU . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 0.16 110.406 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.35 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.25 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.57 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 0.41 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 0.29 110.671 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.2 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.37 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NE ' HG22 ' A' ' 82' ' ' VAL . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 1.87 111.035 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 49' ' ' ALA . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 0.21 109.939 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.19 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.23 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 0.18 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 53' ' ' VAL . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 0.15 110.191 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.23 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 0.21 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' VAL . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.972 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.31 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.24 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.624 HG21 ' HA2' ' B' ' 111' ' ' GLY . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 0.51 111.543 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.56 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 0.75 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 0.19 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.21 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 0.25 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.18 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 0.98 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.864 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.01 110.727 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.25 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.39 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 0.23 110.652 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 0.16 110.527 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.08 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 0.93 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 0.22 110.407 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.19 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 0.29 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.552 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.23 111.053 -174.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.19 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.18 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 0.21 110.828 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.19 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.14 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.11 110.709 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 0.15 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.886 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.213 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 0.1 111.018 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' B' ' 100' ' ' LEU . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 0.23 111.668 -172.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 0.48 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 0.13 109.892 173.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 0.09 110.106 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.728 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.27 111.245 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 0.15 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' A' ' 109' ' ' ILE . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.11 111.096 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 0.12 110.211 175.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.14 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 106' ' ' LEU . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 0.16 110.414 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 0.16 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.626 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.28 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.14 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.09 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.13 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.06 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.21 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.67 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 1.26 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.21 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 0.18 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.17 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 0.19 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.12 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 1.22 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 0.21 110.463 173.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.64 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 0.44 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.719 HG21 ' HA ' ' B' ' 104' ' ' SER . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 0.16 110.634 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.428 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.24 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 37' ' ' ALA . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 0.23 110.587 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 0.27 111.041 -175.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 0.87 111.97 -178.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 95' ' ' LEU . 21.9 t . . . . . 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 0.32 110.195 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.707 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 0.24 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 0.17 110.72 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.26 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 2.91 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 0.16 110.3 170.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.35 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.58 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 0.41 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 0.29 110.745 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.2 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.37 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' B' ' 82' ' ' VAL . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 1.87 111.012 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 49' ' ' ALA . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 0.21 109.947 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.23 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 0.18 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 53' ' ' VAL . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 0.15 110.334 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 57' ' ' VAL . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.914 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.24 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.626 HG21 ' HA2' ' A' ' 111' ' ' GLY . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 0.51 111.448 -174.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.56 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 0.75 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 0.19 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 0.25 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.18 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 0.98 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 0.29 110.812 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.01 110.696 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.25 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.39 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 0.23 110.611 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 0.16 110.589 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.08 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.93 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 0.22 110.412 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.19 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.23 110.913 -174.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.19 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.21 110.905 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.19 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.14 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.587 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.11 110.64 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 0.15 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.155 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.538 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.1 110.929 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 100' ' ' LEU . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 0.23 111.491 -172.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 0.48 110.876 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 0.13 109.782 173.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.97 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.27 111.258 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 0.15 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 109' ' ' ILE . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 0.11 110.976 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 0.12 110.106 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.14 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 0.16 110.38 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.16 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.28 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.14 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.09 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 0.13 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.06 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.21 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.67 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 1.26 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.21 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 0.18 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.17 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.19 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.12 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 1.22 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.496 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 0.21 110.382 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 0.44 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.728 HG21 ' HA ' ' A' ' 104' ' ' SER . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 0.16 110.597 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.418 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.735 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 0.24 110.453 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 0.27 111.013 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.28 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 0.36 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.564 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.1 mm? . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 0.87 111.942 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 HD22 ' B' ' 95' ' ' LEU . 22.4 t . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 0.31 110.176 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 0.24 110.708 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.14 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 0.18 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 0.17 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 2.91 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 0.16 110.497 170.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.35 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.25 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.57 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 0.41 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.761 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.2 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.37 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' A' ' 82' ' ' VAL . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.07 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 0.21 110.043 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 0.15 110.092 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 0.95 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.23 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 0.21 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 0.22 110.878 -176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.31 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.994 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.87 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 0.51 111.586 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 0.75 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.19 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.801 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 0.25 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.18 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 0.98 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 0.29 111.008 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.01 110.642 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.25 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.39 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 0.23 110.614 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 0.16 110.547 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.08 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 0.93 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 0.22 110.343 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.19 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 0.29 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.23 111.025 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.19 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 86' ' ' ASN . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 0.21 110.696 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.19 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.14 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.628 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.11 110.645 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 0.15 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' B' ' 37' ' ' ALA . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 0.18 110.842 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 0.13 109.981 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.518 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 0.1 110.842 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 0.23 111.826 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 0.48 110.857 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 44' ' ' LEU . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 0.13 109.854 173.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.492 HG13 HD11 ' B' ' 106' ' ' LEU . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 0.09 109.873 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.354 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 0.15 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 106' ' ' LEU . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 0.11 111.173 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 103' ' ' VAL . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 0.12 110.201 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.407 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.14 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 0.16 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 0.16 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.837 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.28 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.14 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.09 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.06 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.21 110.457 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.67 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.21 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 0.18 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.17 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 0.19 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 0.21 110.457 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.64 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 0.44 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.717 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 0.16 110.756 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.454 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.24 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 0.23 110.511 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 0.27 111.17 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.28 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 0.36 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.641 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.7 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 0.87 112.035 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t . . . . . 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 0.32 110.137 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.785 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 0.24 110.73 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.14 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 0.18 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 0.17 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 2.91 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 0.16 110.272 170.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.25 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.58 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 0.41 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.75 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.37 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.68 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 1.87 110.987 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.21 110.15 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.19 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.18 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.196 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 0.95 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.23 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 0.21 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.22 110.873 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.31 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.837 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 0.51 111.482 -173.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.56 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 0.75 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.19 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 0.21 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 0.98 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.66 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 0.29 110.906 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.634 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.01 110.644 -177.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.25 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.39 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 0.23 110.587 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 0.16 110.601 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.08 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 0.93 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 0.22 110.302 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 0.29 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.591 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.23 110.904 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.19 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 86' ' ' ASN . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 0.21 110.857 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.14 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.629 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.11 110.654 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 0.15 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 0.18 110.767 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.043 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.497 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.1 110.718 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.23 111.624 -173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 0.48 111.03 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' B' ' 44' ' ' LEU . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 0.13 109.694 174.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.491 HG13 HD11 ' A' ' 106' ' ' LEU . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 0.09 109.823 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.717 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.27 111.314 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 0.15 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' A' ' 106' ' ' LEU . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.11 111.032 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 103' ' ' VAL . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.14 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 0.16 111.298 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.87 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.28 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.409 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.14 110.868 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.09 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.06 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.21 110.549 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.67 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.21 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 0.18 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.17 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 0.19 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 1.22 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.538 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.308 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.64 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 0.44 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.583 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.788 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.491 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.27 111.207 -174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.28 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.636 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.7 mp . . . . . 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 0.87 111.996 -175.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.524 HG12 HD22 ' B' ' 95' ' ' LEU . 24.4 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.31 110.229 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.754 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.14 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.24 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.26 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 2.91 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 0.16 110.398 168.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.35 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.25 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.57 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 0.41 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 0.29 110.71 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.2 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.37 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.043 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 57' ' ' VAL . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 0.21 109.925 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.23 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.18 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 0.15 110.182 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.23 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HD23 ' A' ' 71' ' ' LEU . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 0.21 110.874 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 0.22 111.112 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.31 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.417 ' CG ' HD13 ' B' ' 115' ' ' ILE . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.789 HG21 ' CA ' ' B' ' 111' ' ' GLY . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 0.51 111.477 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.56 110.52 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 0.75 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.697 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 0.21 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 60' ' ' LEU . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.874 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 0.98 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.29 110.869 -177.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.01 110.648 -177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.25 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 0.23 110.592 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 0.16 110.549 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.08 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 0.22 110.319 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.19 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.584 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.23 110.998 -175.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.19 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.18 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 86' ' ' ASN . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 0.21 110.698 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.14 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.666 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 0.15 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' B' ' 37' ' ' ALA . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 0.18 110.812 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.62 ' O ' HD23 ' A' ' 100' ' ' LEU . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 0.13 109.942 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.1 110.752 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 0.23 111.893 -173.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.692 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 0.48 110.812 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 0.13 109.858 173.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.09 110.029 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.725 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.27 111.309 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 0.15 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' B' ' 106' ' ' LEU . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 0.11 111.084 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 0.12 110.222 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.14 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 0.16 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 0.16 111.318 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.786 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.28 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.14 111.317 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.09 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' B' ' 113' ' ' SER . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.13 110.414 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.06 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.21 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.67 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 1.26 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.21 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 0.18 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.19 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 1.22 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.461 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.446 173.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.64 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.44 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 0.16 110.646 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.24 111.203 -177.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.774 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 0.23 110.48 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 0.27 111.1 -175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 0.36 111.419 -173.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.4 mp . . . . . 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 0.87 112.191 -174.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.529 HG12 HD22 ' A' ' 95' ' ' LEU . 24.5 t . . . . . 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 0.32 110.202 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 0.24 110.721 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.14 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 0.24 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 0.18 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 0.17 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.26 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' HA3' ' A' ' 131' ' ' GLY . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 0.16 110.119 168.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.25 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.58 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.734 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 1.87 111.032 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.573 ' O ' HG23 ' B' ' 57' ' ' VAL . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 0.21 110.142 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.19 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.23 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.18 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.608 ' O ' HG23 ' B' ' 61' ' ' VAL . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 0.15 110.198 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 0.95 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.23 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.471 HD21 HD23 ' B' ' 71' ' ' LEU . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.912 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 57' ' ' VAL . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.22 111.008 -175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.24 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . 0.409 ' CG ' HD13 ' A' ' 115' ' ' ILE . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.786 HG21 ' CA ' ' A' ' 111' ' ' GLY . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 0.51 111.379 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.533 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.75 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 0.19 110.715 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.21 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.471 HD23 HD21 ' B' ' 60' ' ' LEU . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.804 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 0.98 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 0.29 110.847 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.645 ' O ' HG23 ' B' ' 79' ' ' VAL . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.762 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.25 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.654 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 0.16 110.603 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 0.93 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 0.22 110.309 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.19 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 0.29 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.27 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.606 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.817 -174.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.19 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.21 110.834 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.19 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.606 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.11 110.619 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 0.15 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 0.18 110.679 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 0.13 109.921 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.557 ' HB3' HG11 ' B' ' 82' ' ' VAL . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.1 110.74 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 0.23 111.692 -173.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 0.48 110.928 -175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 0.13 109.702 173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.566 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 0.09 109.919 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.285 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 0.15 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 106' ' ' LEU . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 0.11 111.026 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 0.12 110.186 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.14 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 106' ' ' LEU . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 0.16 111.379 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.789 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.28 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.14 111.242 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.09 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 113' ' ' SER . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.13 110.435 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.06 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.21 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 1.26 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.21 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 0.18 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.17 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.12 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 1.22 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.456 ' OG1' HG11 ' A' ' 53' ' ' VAL . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 0.21 110.349 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.64 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 0.44 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.567 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . 0.404 ' HB2' HD12 ' B' ' 75' ' ' ILE . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.24 111.024 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.776 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.24 110.425 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 0.27 111.15 -175.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 0.36 111.36 -173.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.676 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.4 mp . . . . . 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 0.87 112.127 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.4 HG12 HD22 ' B' ' 95' ' ' LEU . 42.5 t . . . . . 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 0.31 110.156 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 0.24 110.777 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.14 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 0.18 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 0.17 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.26 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 2.91 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 0.16 110.434 172.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.35 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.25 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.57 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.41 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 0.29 110.752 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.2 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.37 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.656 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 1.87 111.084 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 0.21 109.926 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.19 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 0.18 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 0.15 110.201 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 0.95 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 0.21 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 0.22 110.99 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.31 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.24 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.868 HG21 ' CA ' ' B' ' 111' ' ' GLY . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 0.51 111.579 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.56 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 0.75 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 0.19 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 0.21 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 0.25 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.29 110.837 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.661 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.25 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.39 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.23 110.598 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 0.16 110.443 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.08 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 0.93 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 0.22 110.371 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.19 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.23 111.057 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.19 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 0.21 110.758 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.19 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.14 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.11 110.708 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.874 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 0.13 110.239 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.579 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.1 111.065 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 0.23 111.639 -172.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 0.48 110.537 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 98' ' ' ALA . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 0.13 109.861 173.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 0.09 110.101 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.75 ' HA ' HG21 ' B' ' 130' ' ' VAL . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.27 111.3 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 0.15 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.11 111.158 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 0.12 110.244 176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.14 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 0.16 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 106' ' ' LEU . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.16 111.312 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.14 110.868 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.09 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.13 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.06 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.21 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.67 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 1.26 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.21 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 0.18 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.17 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 0.19 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.12 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 1.22 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.463 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 0.21 110.615 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.64 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 0.44 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 0.16 110.685 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.24 111.159 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.775 HG13 ' HB1' ' B' ' 37' ' ' ALA . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 0.23 110.513 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 0.27 111.113 -175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.28 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 0.36 111.456 -173.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 0.87 112.064 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 0.32 110.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.24 110.701 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 0.18 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 0.17 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 2.91 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 0.16 110.279 172.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.25 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.58 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 0.41 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.638 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 0.29 110.817 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 1.87 111.003 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 0.21 110.018 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.19 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 0.18 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.604 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 0.15 110.261 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 0.95 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.23 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.21 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 57' ' ' VAL . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 0.22 110.913 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.31 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 0.51 111.554 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.56 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 0.75 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 0.19 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 0.21 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 0.25 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.18 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.98 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 0.29 110.897 -177.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.653 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.25 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.23 110.544 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 0.16 110.502 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.08 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 0.93 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 0.22 110.422 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 0.29 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.23 110.929 -174.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.19 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.18 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 0.21 110.897 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.19 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.14 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.11 110.668 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.647 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.18 110.802 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.102 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.571 ' HB3' HG11 ' B' ' 82' ' ' VAL . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.1 110.96 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 0.23 111.429 -172.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 0.48 110.855 -176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 0.13 109.77 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.743 ' O ' HG23 ' B' ' 107' ' ' VAL . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 0.09 109.944 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.733 ' HA ' HG21 ' A' ' 130' ' ' VAL . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.268 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 0.15 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.535 ' CD1' HG13 ' A' ' 103' ' ' VAL . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 0.11 111.0 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.12 110.325 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.14 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 0.16 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.418 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 0.16 111.328 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.868 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.28 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.418 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.14 110.94 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.09 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 0.13 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.06 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.21 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 0.18 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.17 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 0.19 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.12 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.22 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.444 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 0.21 110.42 174.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 0.44 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 0.16 110.672 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . 0.431 ' HB2' HD12 ' B' ' 75' ' ' ILE . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.24 110.9 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 37' ' ' ALA . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 0.24 110.483 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.27 111.123 -175.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.28 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 0.36 111.361 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.2 mp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 0.87 112.022 -175.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG12 HD22 ' B' ' 95' ' ' LEU . 22.5 t . . . . . 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 0.31 110.235 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.792 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 0.24 110.756 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.14 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 0.24 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 0.17 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.26 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 2.91 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 0.16 110.283 168.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.35 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.25 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.57 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 0.41 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.68 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.2 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.37 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.689 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 1.87 111.116 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.23 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 0.18 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 0.15 110.265 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 0.21 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.946 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.665 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 0.51 111.686 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.56 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 0.75 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 0.19 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 0.21 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 0.25 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.18 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 0.98 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.871 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.01 110.709 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.25 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.39 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 0.23 110.53 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 0.16 110.519 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.08 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 0.93 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 0.22 110.324 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.19 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 0.29 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.27 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.576 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.23 110.957 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.19 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.18 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 0.21 110.658 -177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.19 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.14 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.698 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 0.15 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.675 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.18 110.947 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 0.13 110.184 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.818 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.1 111.018 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 0.23 111.72 -172.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 0.48 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 44' ' ' LEU . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 0.13 109.949 173.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' B' ' 103' ' ' VAL . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 0.09 109.96 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.731 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.27 111.327 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 0.15 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' B' ' 106' ' ' LEU . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 0.11 111.291 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 0.12 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.14 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 0.16 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 0.16 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.28 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.14 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.09 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.13 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.06 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.21 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.67 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 1.26 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.21 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 0.18 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.17 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 0.19 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.12 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 1.22 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.579 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 0.21 110.487 174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.64 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 0.44 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 0.16 110.721 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.24 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 0.23 110.451 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 0.27 111.09 -175.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 0.36 111.445 -173.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 0.87 112.174 -175.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 95' ' ' LEU . 22.8 t . . . . . 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 0.32 110.161 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.761 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.14 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 0.24 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 0.17 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.26 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 2.91 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 0.16 110.085 168.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.25 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.58 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 0.41 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 0.29 110.814 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.2 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.696 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 1.87 111.004 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.21 110.074 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.19 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.23 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 0.18 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.15 110.258 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.23 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.934 -175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.31 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.24 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.678 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 0.51 111.637 -173.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.56 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 0.75 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 0.19 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 0.25 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.18 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 0.29 110.832 -177.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.01 110.725 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.25 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.39 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.753 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 0.23 110.608 -176.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 0.16 110.568 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.08 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 0.22 110.368 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.19 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.877 -174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.19 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.21 110.823 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.19 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.14 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.598 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.11 110.687 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 0.15 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.664 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 0.18 110.772 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 0.13 110.136 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.1 110.887 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 0.23 111.535 -173.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 0.48 110.958 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 0.13 109.8 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 103' ' ' VAL . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 0.09 109.817 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.758 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.245 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 0.15 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 106' ' ' LEU . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.11 111.092 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 0.12 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.14 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 0.16 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 0.16 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.665 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.28 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.14 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.09 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 0.13 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.06 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.21 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.67 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 1.26 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.21 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 0.18 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.17 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.19 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.12 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 1.22 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.574 ' OG1' HG11 ' A' ' 53' ' ' VAL . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 0.21 110.451 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.64 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 0.44 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 0.16 110.622 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.411 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.24 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.766 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.484 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 0.27 111.11 -175.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.28 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.458 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.299 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.792 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 0.87 112.078 -175.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.545 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t . . . . . 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 0.31 110.199 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 0.24 110.71 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 0.18 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.26 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 2.91 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 100' ' ' LEU . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 0.16 110.347 171.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.35 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.25 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.57 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.721 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.2 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.37 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 1.87 111.074 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 0.21 109.88 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.19 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.23 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 0.15 110.237 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 0.95 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 0.21 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 0.22 110.969 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.31 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.24 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.655 HG21 ' HA2' ' B' ' 111' ' ' GLY . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 0.51 111.503 -173.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.56 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 0.75 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 0.21 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 0.25 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.18 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.98 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.29 110.928 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.01 110.682 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.25 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.39 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.23 110.698 -175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 0.16 110.519 -177.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.08 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 0.93 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 0.22 110.42 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.643 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.23 111.037 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.19 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.18 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 86' ' ' ASN . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 0.21 110.75 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.19 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.14 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.11 110.687 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 0.15 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.703 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 0.18 110.876 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 0.13 110.163 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 0.1 111.02 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 0.23 111.701 -172.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 0.48 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 0.13 110.047 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 0.09 110.178 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.661 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.27 111.286 -178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.15 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' B' ' 103' ' ' VAL . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 0.11 111.018 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 0.12 110.255 176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.14 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 0.16 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.484 ' C ' HG21 ' B' ' 66' ' ' THR . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 0.16 111.385 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.679 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.28 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.14 110.9 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.09 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.13 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.06 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.21 110.414 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.21 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 0.18 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.17 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 0.19 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.12 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 1.22 111.044 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.533 ' OG1' HG11 ' B' ' 53' ' ' VAL . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.423 173.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.64 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 0.44 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.633 -178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.24 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 37' ' ' ALA . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 0.23 110.535 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 0.27 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.28 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 0.36 111.421 -174.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.562 ' N ' HD12 ' A' ' 138' ' ' LEU . 6.8 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 0.87 112.233 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 95' ' ' LEU . 22.1 t . . . . . 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 0.32 110.11 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 0.24 110.715 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 0.24 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 0.18 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.26 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 2.91 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' B' ' 100' ' ' LEU . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 0.16 110.238 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.35 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.58 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 0.41 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 0.29 110.756 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.37 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.657 ' NE ' HG22 ' B' ' 82' ' ' VAL . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 1.87 111.03 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 49' ' ' ALA . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 0.21 109.923 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.19 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 0.18 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 61' ' ' VAL . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 0.15 110.212 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 0.95 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.23 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.21 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 57' ' ' VAL . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.901 -175.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.31 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.24 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.679 HG21 ' HA2' ' A' ' 111' ' ' GLY . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 0.51 111.473 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.56 110.651 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 0.75 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.853 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 0.25 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.18 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 0.98 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 0.29 110.956 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.01 110.747 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.25 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.39 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 0.23 110.653 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 0.16 110.612 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.08 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 0.93 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 0.22 110.385 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.19 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 0.29 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.957 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.19 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.18 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' B' ' 86' ' ' ASN . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 0.21 110.809 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.19 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.14 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.11 110.732 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 0.15 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.717 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.819 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 0.13 110.149 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' B' ' 100' ' ' LEU . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 0.1 110.927 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 0.23 111.507 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.554 ' CD1' HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 0.48 110.944 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 0.13 109.874 173.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 0.09 110.052 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.65 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.27 111.224 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 0.15 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 103' ' ' VAL . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 0.11 110.851 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 0.12 110.28 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.14 110.763 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 0.16 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.488 ' C ' HG21 ' A' ' 66' ' ' THR . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 0.16 111.238 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.28 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.14 111.035 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.09 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.06 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.509 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.413 -177.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.67 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 1.26 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.21 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 0.18 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.17 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 0.19 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 1.22 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.527 ' OG1' HG11 ' A' ' 53' ' ' VAL . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.302 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.64 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 0.44 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.661 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 0.16 110.517 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.24 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.78 HG13 ' HB1' ' A' ' 37' ' ' ALA . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 0.24 110.489 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.28 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 0.36 111.259 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.562 HD12 ' N ' ' B' ' 138' ' ' LEU . 6.8 mp . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 0.87 112.198 -175.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HD22 ' B' ' 95' ' ' LEU . 22.3 t . . . . . 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.31 110.172 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.24 110.689 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.14 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.18 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.26 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 2.91 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 0.16 110.175 166.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.35 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.25 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.57 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.41 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.29 110.769 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.2 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.37 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.674 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.054 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 0.21 110.206 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.19 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.23 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 0.18 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 0.15 110.141 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.23 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 0.21 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 0.22 110.987 -176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.31 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.24 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.735 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 0.51 111.567 -174.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.56 110.801 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 0.19 110.829 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 0.21 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 0.29 110.829 -177.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.01 110.65 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.25 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.39 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.23 110.641 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 0.16 110.592 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.08 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.93 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 0.22 110.374 178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.19 110.822 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.27 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.554 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.23 110.97 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.19 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.18 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 86' ' ' ASN . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 0.21 110.734 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.19 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.14 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.11 110.736 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.451 HG11 ' OG ' ' A' ' 83' ' ' SER . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 36' ' ' VAL . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 0.18 110.906 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 0.13 110.171 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.531 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.1 110.954 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 0.23 111.674 -172.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 0.48 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 0.13 109.994 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 0.09 110.031 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.761 ' HA ' HG21 ' B' ' 130' ' ' VAL . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.27 111.265 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 0.15 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' B' ' 110' ' ' LEU . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.11 111.099 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 103' ' ' VAL . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.14 110.873 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.597 ' CD1' HD22 ' B' ' 106' ' ' LEU . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 0.16 111.28 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.28 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.14 110.818 -176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.13 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.06 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.334 -177.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.67 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 1.26 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.21 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 0.18 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.17 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.19 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.12 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 1.22 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.21 110.54 173.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.64 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 0.44 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 0.16 110.624 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' A' ' 75' ' ' ILE . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.24 111.128 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.777 HG13 ' HB1' ' B' ' 37' ' ' ALA . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 0.23 110.514 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 0.27 111.099 -175.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.28 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.385 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.865 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.2 mp . . . . . 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 0.87 112.053 -176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.575 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t . . . . . 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 0.32 110.174 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.865 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 0.24 110.676 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.14 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.18 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.26 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 2.91 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 0.16 110.027 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.25 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.58 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 0.41 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.605 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 0.29 110.682 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.2 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.008 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 49' ' ' ALA . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 0.21 110.166 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.665 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 0.15 110.166 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 0.21 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 57' ' ' VAL . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 0.22 110.832 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.31 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.24 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.727 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 0.51 111.525 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.56 110.671 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 0.75 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 0.19 110.808 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 0.25 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.18 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 0.98 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.665 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 0.29 110.803 -177.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.01 110.715 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.25 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.39 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 0.23 110.624 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 0.16 110.609 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.08 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 0.93 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 0.22 110.348 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.447 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.19 110.658 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.29 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.923 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.19 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.18 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 0.21 110.899 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.19 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.14 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.562 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.11 110.712 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.447 HG11 ' OG ' ' B' ' 83' ' ' SER . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 0.15 110.136 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.539 HD22 HG12 ' A' ' 36' ' ' VAL . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.18 110.818 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 0.13 110.121 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.529 ' O ' HD23 ' B' ' 100' ' ' LEU . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.937 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 0.23 111.465 -173.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 0.48 110.96 -176.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 0.13 109.847 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.682 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 0.09 109.898 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.743 ' HA ' HG21 ' A' ' 130' ' ' VAL . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.27 111.267 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 0.15 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 110' ' ' LEU . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 0.11 110.949 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 103' ' ' VAL . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 0.12 110.258 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.14 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 0.16 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 106' ' ' LEU . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 0.16 111.185 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.735 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.28 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.425 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.14 110.94 -176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 0.13 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.508 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.21 110.442 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 1.26 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.21 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 0.18 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.17 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 0.19 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.81 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 53' ' ' VAL . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 0.21 110.489 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.64 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 0.44 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 104' ' ' SER . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 0.16 110.63 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' B' ' 75' ' ' ILE . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.24 111.025 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 37' ' ' ALA . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 0.24 110.419 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 0.27 111.144 -175.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.36 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.846 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.2 mp . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 0.87 112.075 -176.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HD22 ' B' ' 95' ' ' LEU . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.31 110.208 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 0.24 110.805 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.14 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.18 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.17 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.26 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 2.91 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 0.16 110.362 171.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.35 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.25 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.57 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.769 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.2 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.37 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 1.87 111.108 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 0.21 109.959 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.19 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.23 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 0.18 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 61' ' ' VAL . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 0.15 110.164 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 0.95 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 0.21 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 0.22 110.97 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.31 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.755 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 0.51 111.663 -173.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.56 110.879 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 0.75 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 0.19 110.758 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 0.25 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.18 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.797 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.01 110.617 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.25 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.39 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.667 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 0.16 110.499 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.08 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 0.93 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 0.22 110.461 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.19 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 0.29 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.27 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.549 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.23 111.011 -174.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.19 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.549 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 0.21 110.803 -177.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.19 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.14 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.658 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 0.15 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.84 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 0.13 110.128 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.1 111.008 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' B' ' 96' ' ' VAL . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 0.23 111.672 -172.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 0.48 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 0.13 109.834 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.09 109.876 177.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.786 ' HA ' HG21 ' B' ' 130' ' ' VAL . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.27 111.353 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 0.15 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.11 111.256 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 0.12 110.116 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.14 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.16 110.464 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 0.16 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.747 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.28 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.14 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.09 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.13 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.06 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.21 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.67 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 1.26 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 0.18 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.17 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.12 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 1.22 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.21 110.575 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 0.44 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 0.16 110.71 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.524 ' HB2' HD12 ' A' ' 75' ' ' ILE . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.24 111.239 -176.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.731 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 0.23 110.438 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 0.27 111.147 -175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.28 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.832 HD22 ' HB3' ' B' ' 37' ' ' ALA . 9.7 mp . . . . . 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 0.87 112.27 -173.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.643 HG12 HD22 ' A' ' 95' ' ' LEU . 21.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 0.32 110.258 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.832 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 0.24 110.761 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 0.18 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 0.17 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 2.91 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 0.16 110.128 171.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.35 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.25 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.58 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 0.41 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.29 110.784 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.2 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.672 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 1.87 110.99 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 0.21 110.097 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.19 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 0.15 110.194 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.23 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 0.21 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 0.22 110.948 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.31 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.747 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 0.51 111.509 -173.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.56 110.813 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.75 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 0.19 110.829 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 0.21 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 0.25 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.18 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 0.98 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 0.29 110.837 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.637 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.01 110.755 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.25 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.39 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.655 -175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 0.16 110.531 -177.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.93 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 0.22 110.385 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.19 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 0.29 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.871 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.19 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 0.21 110.885 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.19 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.14 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.617 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.11 110.676 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.18 110.79 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.074 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.551 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 0.1 110.948 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 96' ' ' VAL . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 0.23 111.497 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 0.48 110.945 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 0.13 109.781 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 0.09 109.77 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.776 ' HA ' HG21 ' A' ' 130' ' ' VAL . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.27 111.35 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 0.15 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 0.11 111.124 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 0.12 110.202 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.14 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.327 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 0.16 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.28 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.14 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.09 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 0.13 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.06 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.21 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.67 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 1.26 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.21 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 0.18 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.17 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.19 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.12 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 1.22 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 53' ' ' VAL . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.481 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.64 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 0.44 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 0.16 110.647 -176.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . 0.526 ' HB2' HD12 ' B' ' 75' ' ' ILE . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.24 111.093 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.738 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 0.24 110.391 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.105 -175.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 37' ' ' ALA . 9.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 0.87 112.235 -173.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 0.31 110.222 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 0.24 110.783 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.14 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.18 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.26 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 0.16 110.29 170.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.35 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.57 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 0.41 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 0.29 110.754 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.2 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.37 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.662 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 1.87 111.108 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 49' ' ' ALA . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.21 110.298 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.19 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.18 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' VAL . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.164 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 0.21 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 0.22 111.015 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.31 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.24 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 ' CA ' ' B' ' 111' ' ' GLY . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 0.51 111.405 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.56 110.384 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 0.75 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 0.19 110.512 179.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 0.21 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 0.25 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.18 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 0.98 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.927 -176.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.01 110.694 -177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.25 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.39 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.601 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 0.16 110.587 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.08 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 0.93 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 0.22 110.389 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.19 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.29 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.27 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.597 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.23 111.0 -174.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.19 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.18 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' ASN . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 0.21 110.798 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.19 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.11 110.735 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' HD22 ' A' ' 89' ' ' LEU . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 0.15 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 0.18 110.86 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 0.13 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.546 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.1 110.976 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 0.23 111.647 -172.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 0.48 110.543 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 0.13 109.906 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 0.09 110.141 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.673 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.27 111.315 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 0.15 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' B' ' 106' ' ' LEU . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.11 111.172 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 0.12 110.212 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.14 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 0.16 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' B' ' 106' ' ' LEU . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 0.16 111.312 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.721 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.28 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.14 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.09 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.13 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.06 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.21 110.364 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.21 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 0.18 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.17 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 0.19 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.12 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 1.22 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 0.21 110.388 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.64 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 0.44 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 0.16 110.663 -177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.24 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.753 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 0.23 110.537 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 0.27 111.222 -174.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 0.36 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.1 mp . . . . . 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 0.87 112.336 -174.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 0.32 110.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.845 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 0.24 110.754 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.14 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 0.24 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 0.17 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.26 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 2.91 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' B' ' 100' ' ' LEU . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 0.16 110.16 170.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.35 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.25 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.58 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 0.29 110.734 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.2 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.37 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 1.87 111.044 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 0.21 110.307 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.19 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.635 ' O ' HG23 ' B' ' 61' ' ' VAL . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.15 110.169 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 0.95 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.23 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.21 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 0.22 110.964 -175.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.31 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.24 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.721 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 0.51 111.333 -176.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.56 110.373 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 0.75 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.19 110.553 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 0.21 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.18 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.642 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.955 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.01 110.738 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.25 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.39 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 0.23 110.619 -175.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' ILE . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 0.16 110.659 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.08 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 0.22 110.369 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.19 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 0.29 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.27 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.629 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.23 110.854 -173.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.19 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.18 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 86' ' ' ASN . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 0.21 110.876 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.19 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.6 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.11 110.735 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.504 ' OD2' HD22 ' B' ' 89' ' ' LEU . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 0.15 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.793 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 0.13 110.107 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.544 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.731 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.1 110.906 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 0.23 111.458 -172.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 0.48 110.99 -176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 0.13 109.776 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 107' ' ' VAL . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 0.09 109.925 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.66 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.27 111.258 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 0.15 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 103' ' ' VAL . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 0.11 110.977 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 0.12 110.194 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.14 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 106' ' ' LEU . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 0.16 111.313 -176.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.728 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.28 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.14 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.06 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.526 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.322 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.67 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 1.26 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.21 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 0.18 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.17 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 1.22 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 53' ' ' VAL . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 0.21 110.376 173.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.64 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 0.44 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 104' ' ' SER . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 0.16 110.648 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.24 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.745 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.538 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.27 111.147 -174.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.28 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 0.36 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.1 mp . . . . . 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 0.87 112.262 -174.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.591 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 0.31 110.182 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.24 110.755 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 0.17 110.81 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 2.91 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 100' ' ' LEU . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 0.16 110.525 171.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.35 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.25 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.57 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 0.41 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 0.29 110.724 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.2 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.37 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 1.87 110.986 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.765 HG11 ' OG1' ' B' ' 127' ' ' THR . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 0.21 110.065 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 0.18 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 0.15 110.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 0.95 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.23 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 0.21 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 0.22 111.004 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.797 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 0.51 111.5 -174.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 59.5 t30 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.56 110.879 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 0.75 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.539 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.673 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 0.25 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.18 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 0.98 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 0.29 110.871 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.01 110.676 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.25 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.39 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 0.23 110.575 -176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 0.16 110.493 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.93 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 0.22 110.402 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.19 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 0.29 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.27 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.636 ' HB3' HD12 ' A' ' 89' ' ' LEU . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.23 110.816 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.19 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.18 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 86' ' ' ASN . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 0.21 110.783 -176.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.19 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.14 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.11 110.732 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 0.15 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 0.18 110.792 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.622 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.13 109.982 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.1 110.832 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 0.23 111.826 -172.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.795 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 0.48 110.852 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 0.13 109.899 173.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.09 110.031 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.712 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.315 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 0.15 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 0.11 111.064 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 103' ' ' VAL . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 0.12 110.324 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.14 110.963 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 0.16 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 0.16 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.802 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.28 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.14 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.13 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.06 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.21 110.45 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.67 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 1.26 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.21 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 0.18 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 0.19 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.12 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 1.22 111.03 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.766 ' OG1' HG11 ' B' ' 53' ' ' VAL . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 0.21 110.308 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.64 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 0.44 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.719 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.442 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.24 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.786 HG13 ' HB1' ' B' ' 37' ' ' ALA . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 0.23 110.438 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 0.27 110.974 -175.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 0.36 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 0.87 111.925 -178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.612 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 0.32 110.21 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 0.24 110.644 178.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.14 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.17 110.607 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 2.91 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.773 HD22 HD12 ' B' ' 100' ' ' LEU . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 0.16 110.335 171.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.35 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.25 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.58 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 0.41 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.613 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 0.29 110.791 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.2 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.37 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.979 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.766 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 0.21 110.033 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.19 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.23 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 61' ' ' VAL . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 0.15 110.159 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 0.95 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 0.21 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.876 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.31 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.24 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.802 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 0.51 111.46 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.537 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 59.7 t30 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.709 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 0.75 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.775 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 0.25 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.18 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.849 -176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.686 ' O ' HG23 ' B' ' 79' ' ' VAL . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.01 110.698 -177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.25 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.39 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.73 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 0.23 110.606 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 75' ' ' ILE . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 0.16 110.512 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.08 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 0.93 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 0.22 110.388 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.19 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 0.29 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.652 ' HB3' HD12 ' B' ' 89' ' ' LEU . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.23 110.746 -174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.19 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.18 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 86' ' ' ASN . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 0.21 110.893 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.19 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.11 110.723 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.63 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 0.18 110.746 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.08 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.541 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.1 110.776 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 0.23 111.574 -172.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.773 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 0.48 111.004 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 0.13 109.738 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.702 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.09 109.891 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.27 111.225 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.15 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.465 HD11 HG13 ' A' ' 103' ' ' VAL . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 0.11 110.913 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 103' ' ' VAL . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 0.12 110.311 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.14 110.917 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 0.16 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 0.16 111.266 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.797 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.28 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.14 110.872 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.09 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 0.13 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.49 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.446 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.67 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 1.26 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.21 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 0.18 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.17 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 0.19 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.12 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.839 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.765 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 0.21 110.283 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 0.44 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.712 HG21 ' HA ' ' A' ' 104' ' ' SER . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 0.16 110.603 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.43 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.24 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 0.24 110.506 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 0.27 111.119 -176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.28 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.572 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.2 mm? . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 0.87 111.877 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.525 HG12 HD22 ' B' ' 95' ' ' LEU . 23.0 t . . . . . 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 0.31 110.167 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 0.24 110.759 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 0.18 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.17 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.26 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.826 HD22 HD12 ' A' ' 100' ' ' LEU . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 0.16 110.541 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.25 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.57 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 0.41 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 0.29 110.761 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.2 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.37 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 1.87 111.124 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 0.21 110.204 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.19 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 0.15 110.15 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.95 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.23 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.21 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 0.22 111.008 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.24 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.732 HG21 ' N ' ' B' ' 111' ' ' GLY . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 0.51 111.613 -174.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.523 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.56 110.687 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 0.75 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 0.19 110.67 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 0.21 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 0.25 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.18 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 0.98 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.29 110.996 -176.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.01 110.7 -177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.25 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.39 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.616 -175.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 0.16 110.517 -177.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.93 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 0.22 110.358 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.19 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 0.29 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.27 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.997 -174.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.19 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 0.21 110.779 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.19 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.14 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.61 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.11 110.712 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.896 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.626 ' O ' HD23 ' A' ' 100' ' ' LEU . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 0.13 109.856 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' ' 100' ' ' LEU . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.739 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 0.1 110.752 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 0.23 111.832 -172.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.826 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 0.48 110.93 -175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 98' ' ' ALA . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 0.13 109.938 174.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 0.09 110.062 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.683 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 111.306 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 0.15 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 0.11 111.091 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 0.12 110.233 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.14 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.16 110.434 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' B' ' 66' ' ' THR . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 0.16 111.386 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.736 ' N ' HG21 ' B' ' 66' ' ' THR . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.404 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.14 110.898 -176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.09 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.13 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.06 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.67 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 1.26 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.21 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 0.18 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.17 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.19 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.12 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 1.22 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.582 ' CG2' HD11 ' B' ' 44' ' ' LEU . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 0.21 110.465 173.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.64 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 0.44 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 0.16 110.698 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.445 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.24 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.465 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 0.27 111.158 -174.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.36 111.441 -173.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.7 mp . . . . . 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 0.87 112.197 -174.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.532 HG12 HD22 ' A' ' 95' ' ' LEU . 23.3 t . . . . . 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 0.32 110.065 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.68 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 0.24 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 0.17 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 2.91 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.804 HD22 HD12 ' B' ' 100' ' ' LEU . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 171.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.58 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 0.41 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 0.29 110.826 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.679 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 1.87 110.96 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 49' ' ' ALA . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 0.21 110.167 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.23 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 0.18 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.533 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 0.15 110.298 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.23 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.21 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 57' ' ' VAL . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 0.22 110.904 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.31 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.24 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' N ' ' A' ' 111' ' ' GLY . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 0.51 111.541 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.566 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.511 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 0.19 110.662 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 0.25 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.18 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 0.98 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 0.29 110.986 -176.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.639 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.01 110.715 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.25 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 0.23 110.655 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.597 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.08 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 0.22 110.407 178.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.565 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.23 110.869 -174.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.19 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 0.21 110.839 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.19 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.14 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.11 110.62 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 0.15 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.737 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.631 ' O ' HD23 ' B' ' 100' ' ' LEU . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 0.13 109.871 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' B' ' 100' ' ' LEU . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.1 110.76 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 100' ' ' LEU . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.23 111.635 -172.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.804 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.958 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 98' ' ' ALA . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 0.13 109.778 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.953 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.676 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.27 111.203 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 0.15 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 109' ' ' ILE . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 0.11 110.942 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 0.12 110.19 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.14 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 0.16 110.39 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.424 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.16 111.274 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.732 ' N ' HG21 ' A' ' 66' ' ' THR . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.28 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.424 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.14 111.002 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.09 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.13 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.06 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.21 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.67 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 0.18 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.17 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 0.19 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.12 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.578 ' CG2' HD11 ' A' ' 44' ' ' LEU . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 0.21 110.327 173.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 0.44 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.683 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.646 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.801 HG13 ' HB1' ' A' ' 37' ' ' ALA . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.24 110.44 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 0.27 111.139 -174.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 0.36 111.381 -173.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.563 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.7 mp . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 0.31 110.213 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 0.24 110.712 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.18 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.17 110.743 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.26 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 2.91 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 100' ' ' LEU . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 0.16 110.481 169.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.35 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.25 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.57 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 0.41 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 0.29 110.679 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.2 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.66 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.079 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 49' ' ' ALA . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.23 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 61' ' ' VAL . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 0.15 110.17 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 0.95 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 0.21 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 0.22 110.976 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.31 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.24 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . 0.438 ' CG ' HD13 ' B' ' 115' ' ' ILE . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.842 HG21 ' CA ' ' B' ' 111' ' ' GLY . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 0.51 111.482 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.56 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 0.75 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 0.19 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 0.21 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.18 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 0.98 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.868 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 79' ' ' VAL . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.01 110.673 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.25 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.39 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 0.23 110.624 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 0.16 110.511 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.08 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 0.93 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 177.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.471 ' OG ' HG11 ' A' ' 94' ' ' VAL . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.794 174.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.66 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.965 -174.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.19 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.18 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 86' ' ' ASN . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 0.21 110.771 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.19 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.14 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.11 110.638 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 0.15 110.304 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.61 HD22 HG12 ' B' ' 36' ' ' VAL . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 0.18 110.791 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' CYS . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 0.13 110.017 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 0.1 110.824 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' B' ' 100' ' ' LEU . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 0.23 111.815 -172.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 0.48 110.921 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 0.13 109.845 174.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 0.09 110.001 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.774 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.27 111.338 -176.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 0.15 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 0.11 111.253 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 103' ' ' VAL . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 0.12 110.089 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.14 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 0.16 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 0.16 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.85 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.28 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.14 111.124 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.09 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.432 HD13 ' CG ' ' B' ' 65' ' ' PRO . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.13 110.348 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.06 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.402 HG21 ' CG1' ' B' ' 57' ' ' VAL . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.461 -177.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.67 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 1.26 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.21 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 0.18 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.17 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.12 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 1.22 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.624 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 0.21 110.399 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.64 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 0.44 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' B' ' 104' ' ' SER . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 0.16 110.667 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.24 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.736 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 0.23 110.592 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 0.27 110.994 -176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.28 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 0.36 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 138' ' ' LEU . 3.3 mm? . . . . . 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 0.87 111.911 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t . . . . . 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 0.32 110.201 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.736 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 0.24 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 0.24 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 0.18 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 0.17 110.677 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.26 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 2.91 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.758 HD22 HD12 ' B' ' 100' ' ' LEU . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 0.16 110.2 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.35 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.25 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.58 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 0.41 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.29 110.728 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.2 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.37 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.675 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 1.87 111.001 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.263 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.23 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 0.18 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 0.15 110.258 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.23 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 0.21 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.22 110.984 -175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.31 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.24 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . 0.432 ' CG ' HD13 ' A' ' 115' ' ' ILE . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.85 HG21 ' CA ' ' A' ' 111' ' ' GLY . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 0.51 111.442 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.56 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 0.75 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 0.21 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 0.25 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.18 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 0.98 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 0.29 110.869 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.653 ' O ' HG23 ' B' ' 79' ' ' VAL . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.636 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.25 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.726 ' O ' HG23 ' B' ' 82' ' ' VAL . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.613 -176.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.592 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.08 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.93 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 0.22 110.365 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . 0.464 ' OG ' HG11 ' B' ' 94' ' ' VAL . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.19 110.636 174.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.27 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.672 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.23 110.894 -174.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.19 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.18 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' B' ' 86' ' ' ASN . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 0.21 110.877 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.19 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.14 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.624 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.11 110.604 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . 0.464 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 0.15 110.193 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 36' ' ' VAL . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.18 110.703 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 92' ' ' CYS . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 0.13 109.994 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.502 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.762 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.1 110.752 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 0.23 111.687 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 0.48 111.05 -175.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 0.13 109.721 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 0.09 109.825 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.754 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.27 111.285 -176.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 0.15 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 0.11 111.076 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 0.12 110.138 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.14 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 0.16 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 0.16 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.842 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.28 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.14 111.147 -175.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.09 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 65' ' ' PRO . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 0.13 110.344 -176.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.06 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.21 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.67 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 1.26 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.21 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 0.18 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.17 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 1.22 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.627 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 0.21 110.324 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 0.44 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 0.16 110.603 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.24 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.402 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 0.27 111.018 -175.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.28 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 0.36 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.569 HD22 ' N ' ' B' ' 138' ' ' LEU . 3.3 mm? . . . . . 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 0.87 111.812 -178.535 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.31 110.247 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.24 110.839 178.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.14 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 0.24 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.18 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 0.17 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.26 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 2.91 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 0.16 110.458 172.419 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.35 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.25 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.57 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 0.41 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 0.29 110.75 -178.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.2 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' A' ' 82' ' ' VAL . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.032 178.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' ALA . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 0.21 110.01 176.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.19 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.23 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 0.18 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 0.15 110.063 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.23 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.21 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 0.22 110.934 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.31 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.24 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.721 HG21 ' N ' ' B' ' 111' ' ' GLY . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 0.51 111.429 -176.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.568 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.56 110.443 176.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 0.75 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 0.19 110.448 179.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 129' ' ' MET . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.25 110.68 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.18 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 0.98 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.974 -176.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.01 110.776 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.25 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.39 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.23 110.551 -175.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.16 110.545 -177.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.08 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 0.22 110.381 178.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.27 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.575 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.23 111.058 -175.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.19 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.18 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.21 110.72 -177.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.14 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.11 110.669 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 0.15 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.944 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 0.13 110.136 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.963 -179.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 0.23 111.685 -172.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 0.48 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 0.13 110.002 173.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.114 178.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.659 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.27 111.367 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 0.15 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 0.11 111.161 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 0.12 110.248 176.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.14 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 0.16 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 0.16 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . 0.733 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.28 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.14 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.09 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.13 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.06 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.21 110.349 -178.007 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.21 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 0.18 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.17 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 0.19 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.12 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 1.22 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.56 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 0.21 110.448 174.065 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.64 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 71' ' ' LEU . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 0.44 110.862 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.66 -177.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.24 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 0.23 110.526 178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 0.27 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.28 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.75 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 0.87 112.176 -174.64 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t . . . . . 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 0.32 110.232 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ALA . . . . . 0.754 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.24 110.87 178.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.14 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 0.24 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.18 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 0.17 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.26 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 2.91 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 0.16 110.321 172.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.25 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.58 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 0.41 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' ALA . . . . . 0.609 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 0.29 110.789 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.2 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 1.87 111.027 178.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.618 ' O ' HG23 ' B' ' 57' ' ' VAL . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 0.21 110.079 176.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.19 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.23 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 0.18 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.634 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.15 110.094 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.95 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 0.21 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 57' ' ' VAL . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 0.22 110.982 -175.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.31 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.24 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.733 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 0.51 111.323 -176.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.56 110.415 176.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 0.75 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.575 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 0.19 110.547 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 0.25 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.18 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 0.98 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' THR . . . . . 0.638 ' O ' HG23 ' B' ' 78' ' ' VAL . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 0.29 110.979 -175.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.62 ' O ' HG23 ' B' ' 79' ' ' VAL . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.01 110.79 -177.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.25 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.39 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.23 110.617 -175.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 0.16 110.579 -177.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.93 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 0.22 110.33 178.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.19 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 0.29 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.27 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.23 110.855 -174.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.19 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.21 110.843 -177.402 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.14 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' CYS . . . . . 0.596 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.11 110.668 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.676 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 0.18 110.798 -179.428 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 0.13 110.197 178.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.1 110.987 -178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 0.23 111.525 -173.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 0.48 111.012 -176.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 0.13 109.853 173.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 103' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 0.09 109.979 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 104' ' ' SER . . . . . 0.654 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.226 -178.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 0.15 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 106' ' ' LEU . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.11 110.982 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 107' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 103' ' ' VAL . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 0.12 110.142 176.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.14 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 0.16 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' GLY . . . . . 0.721 ' N ' HG21 ' A' ' 66' ' ' THR . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.28 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.14 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.09 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 0.13 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' ILE . . . . . 0.511 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.21 110.341 -178.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.67 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 1.26 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.21 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 0.18 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.17 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 0.19 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.12 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 1.22 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . 0.553 ' OG1' HG11 ' A' ' 53' ' ' VAL . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.376 174.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.64 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 0.44 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 130' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.16 110.608 -177.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 134' ' ' VAL . . . . . 0.741 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 0.24 110.459 178.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 0.27 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.28 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.36 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . 0.774 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.4 mp . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 0.87 112.153 -174.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.377 -0.601 . . . . 37.47 109.377 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.04 31.44 3.61 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.261 -0.427 . . . . 36.35 110.878 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -65.38 -35.43 80.94 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.431 -0.35 . . . . 35.47 110.879 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -111.99 162.49 15.3 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.294 -0.412 . . . . 35.94 110.568 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' O ' HG22 ' A' ' 5' ' ' THR . 8.1 m 59.63 34.77 22.33 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.24 -0.436 . . . . 34.67 110.985 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -167.68 127.49 1.57 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.951 -0.86 . . . . 33.88 110.951 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.71 -34.5 90.08 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 111.23 -0.748 . . . . 33.34 111.23 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -86.26 149.41 25.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.717 0.294 . . . . 34.66 110.597 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.91 160.88 38.92 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.145 -0.48 . . . . 32.36 110.599 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.2 mtm -128.92 142.03 51.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.29 -0.414 . . . . 32.94 110.629 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.3 35.0 0.17 Allowed Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.06 -0.816 . . . . 31.2 111.06 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.5 ttt85 -66.0 -35.8 81.56 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.633 0.254 . . . . 30.1 110.799 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.93 44.53 3.84 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.876 -0.889 . . . . 28.69 110.876 -178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.5 p -100.3 32.55 2.97 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.741 0.305 . . . . 27.33 110.827 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.4 mtm 59.46 31.14 20.84 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.414 -0.357 . . . . 26.98 111.301 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.54 -161.33 51.43 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.011 -0.836 . . . . 25.15 111.011 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -144.87 153.42 41.56 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 120.646 0.26 . . . . 24.38 110.454 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -92.89 130.44 38.48 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.221 -0.445 . . . . 23.5 110.64 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.1 p -160.02 111.17 1.94 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 22.08 110.613 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.87 88.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.229 -0.441 . . . . 20.75 111.133 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -158.81 153.0 23.8 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.098 -0.501 . . . . 18.97 110.559 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -119.97 125.47 74.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.29 -0.414 . . . . 17.74 110.125 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.8 m -157.64 151.9 24.68 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.144 -0.48 . . . . 14.19 110.504 179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.48 123.97 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.304 -0.407 . . . . 13.07 110.149 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.6 79.94 0.13 Allowed Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.383 -0.687 . . . . 10.14 111.383 178.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 168.75 -71.83 0.14 Allowed Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.174 -0.77 . . . . 9.05 111.174 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -100.32 29.07 4.54 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 120.58 0.229 . . . . 12.03 111.195 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.65 88.44 0.07 OUTLIER Glycine 0 CA--C 1.531 1.057 0 N-CA-C 111.036 -0.826 . . . . 7.05 111.036 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.99 158.74 56.04 Favored 'Trans proline' 0 N--CA 1.497 1.687 0 C-N-CA 121.722 1.615 . . . . 5.77 112.078 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 61.69 84.3 0.14 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.244 -0.435 . . . . 7.81 110.975 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.6 t -67.02 169.38 8.44 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.97 -0.559 . . . . 2.79 110.488 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 m -154.25 79.91 1.11 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.94 0.4 . . . . 1.95 110.704 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.4 t -101.86 -60.66 1.5 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.986 -0.552 . . . . 0.76 110.273 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.733 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.02 -57.94 10.24 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-N 116.087 -0.506 . . . . 0.49 111.276 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 31.5 Cg_endo -60.3 -17.64 47.97 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 C-N-CA 121.407 1.405 . . . . 0.49 112.823 -166.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 22.4 t -63.45 -53.07 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.747 0.308 . . . . 0.32 110.329 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.986 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.03 -35.7 81.27 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.308 -0.406 . . . . 0.21 110.732 177.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -61.33 -43.29 99.13 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.354 -0.385 . . . . 1.34 110.859 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.41 91.69 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.14 -0.482 . . . . 0.31 110.656 178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.78 -36.98 84.89 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.22 -0.446 . . . . 0.22 110.997 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.165 -0.47 . . . . 0.2 110.725 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.2 m -62.91 -49.18 75.83 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.943 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.16 -23.02 57.7 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.789 -0.364 . . . . 0.24 111.242 178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.37 -32.19 73.55 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.683 -0.235 . . . . 0.44 110.4 169.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.16 -5.57 49.61 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.91 0.337 . . . . 1.29 111.91 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 61.9 p -65.54 152.16 93.03 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.254 -0.178 . . . . 0.21 110.854 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -55.32 -33.51 85.38 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.874 1.716 . . . . 0.44 112.419 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.69 98.89 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.331 -0.395 . . . . 0.16 110.715 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.36 -44.71 82.45 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.148 -0.478 . . . . 0.15 110.749 -178.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.5 -41.5 90.04 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.394 -0.366 . . . . 1.2 111.045 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 m -62.68 -41.86 99.32 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.11 -0.496 . . . . 1.26 110.771 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.665 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.3 mtm-85 -64.85 -33.46 76.05 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-N 116.193 -0.458 . . . . 0.19 111.128 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.684 HG11 ' OG1' ' B' ' 127' ' ' THR . 51.4 t -60.92 -45.98 97.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.044 -0.354 . . . . 0.15 110.044 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -59.32 -44.91 92.55 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.199 -0.455 . . . . 1.08 110.692 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -61.63 -36.49 80.92 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.913 -0.585 . . . . 0.7 110.693 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -34.1 76.48 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.233 -0.439 . . . . 0.15 110.766 176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 61' ' ' VAL . 28.2 t -63.12 -52.75 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.395 -0.366 . . . . 0.18 110.214 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 26.4 t -59.93 -39.19 84.65 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.251 -0.432 . . . . 1.23 111.148 -177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -65.15 -51.09 63.28 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.385 -0.371 . . . . 1.29 110.957 -177.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 68.5 mt -66.54 -40.36 89.06 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.431 -0.349 . . . . 0.25 111.006 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.7 t -65.7 -47.16 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 116.213 -0.448 . . . . 0.21 110.96 -175.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.73 -43.09 60.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.636 -0.257 . . . . 1.1 111.258 -173.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -77.8 -38.74 45.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.524 -0.307 . . . . 0.27 111.011 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.36 105.59 0.56 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.632 -0.987 . . . . 0.22 110.632 -177.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.18 -31.96 2.82 Favored 'Trans proline' 0 N--CA 1.5 1.911 0 C-N-CA 122.337 2.024 . . . . 0.34 114.067 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.746 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.1 p -121.45 30.27 6.83 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.645 0.259 . . . . 0.7 111.64 -173.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.4 t30 -98.18 138.65 35.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.599 -0.273 . . . . 1.1 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.4 tp60 -63.43 -42.98 98.7 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.519 -0.309 . . . . 1.09 110.543 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.82 -41.02 88.18 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.209 -0.451 . . . . 0.29 110.81 -178.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.74 -43.38 89.15 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.87 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.23 -42.01 99.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.402 -0.363 . . . . 0.38 110.765 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.4 p -60.5 -39.55 88.16 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.567 -0.288 . . . . 0.25 110.828 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.27 -42.73 99.15 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.222 -0.445 . . . . 0.28 111.172 179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.9 m -65.42 -47.26 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.306 -0.407 . . . . 0.32 110.941 -177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.2 mm -62.37 -46.13 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.77 -0.195 . . . . 1.04 110.655 -177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.72 -51.09 70.84 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.882 0.372 . . . . 1.29 110.904 -177.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.98 -46.37 88.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.125 -176.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.3 t -63.57 -46.95 93.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.366 -0.379 . . . . 0.16 110.625 -176.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.7 t -58.89 -42.69 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.66 0.267 . . . . 0.16 110.508 -177.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.7 m -60.51 -54.08 49.76 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.977 0.418 . . . . 1.16 111.073 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -67.81 -36.87 81.17 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.961 -0.563 . . . . 1.06 111.49 -174.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.61 -34.63 66.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 N-CA-C 110.443 -0.206 . . . . 0.18 110.443 178.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.1 m -65.95 -38.03 87.55 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.344 -0.389 . . . . 1.21 110.824 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.29 92.45 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.136 -0.484 . . . . 0.23 111.22 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.68 -37.94 67.74 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.311 -0.404 . . . . 0.2 110.224 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.577 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.7 m-20 -112.99 71.2 1.3 Allowed Pre-proline 0 CA--C 1.537 0.459 0 CA-C-N 116.017 -0.538 . . . . 0.2 110.992 -173.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.32 -30.64 5.2 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.628 1.552 . . . . 0.25 112.091 169.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.58 -30.12 76.71 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.668 -0.573 . . . . 0.25 111.668 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.577 HD12 ' HB3' ' A' ' 86' ' ' ASN . 95.4 mt -77.86 154.53 31.68 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.761 0.315 . . . . 0.22 110.883 -176.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -69.83 165.08 22.29 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.005 -0.543 . . . . 0.16 110.443 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.5 84.55 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.446 -0.662 . . . . 0.14 111.446 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.581 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.71 -39.57 88.07 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 121.065 -0.254 . . . . 0.11 110.729 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -60.46 -35.48 75.96 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.662 -0.245 . . . . 0.16 111.097 177.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.59 -46.26 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-O 120.805 0.336 . . . . 0.14 110.336 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.6 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 18.6 tp -63.73 -40.36 96.56 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.135 -0.484 . . . . 0.15 110.986 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.7 t -59.61 -47.98 89.07 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 0.12 110.279 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.575 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.2 tp60 -64.75 -42.37 95.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.902 -0.59 . . . . 0.22 111.21 -173.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.16 -43.92 93.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.34 -0.391 . . . . 0.1 110.953 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.544 HD22 ' CB ' ' B' ' 100' ' ' LEU . 83.3 mt -66.71 -50.65 62.13 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 121.01 -0.276 . . . . 0.18 111.642 -172.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -71.03 -29.52 65.46 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.153 -0.619 . . . . 0.34 110.647 -175.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.95 -33.47 75.79 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.045 -0.262 . . . . 0.14 110.785 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 98' ' ' ALA . 45.4 t -67.37 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 110.008 -0.368 . . . . 0.12 110.008 173.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' B' ' 103' ' ' VAL . 28.1 t -60.27 -45.21 96.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 109.867 -0.42 . . . . 0.09 109.867 177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.14 -39.76 94.71 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.083 -0.508 . . . . 0.33 111.306 -178.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.63 98.83 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.937 0.398 . . . . 0.15 110.516 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.57 ' HB2' HD13 ' B' ' 106' ' ' LEU . 48.2 mt -65.01 -35.92 82.73 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.946 -0.57 . . . . 0.12 111.212 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 103' ' ' VAL . 93.6 t -60.97 -41.55 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.149 -0.315 . . . . 0.15 110.149 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.7 m -60.36 -39.89 88.78 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.21 -0.45 . . . . 0.16 110.849 178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.2 mt -64.06 -42.7 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.068 -0.515 . . . . 0.17 110.448 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.12 -43.66 97.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.518 -0.31 . . . . 0.21 111.303 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.749 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.22 96.0 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.265 -0.734 . . . . 0.29 111.265 -177.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.8 p -78.95 -26.88 43.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.453 0.168 . . . . 0.23 111.43 178.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.59 166.2 12.15 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.911 0.386 . . . . 0.15 111.013 -174.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -102.14 143.08 32.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.687 -0.688 . . . . 0.21 110.35 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.63 128.42 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.492 -0.322 . . . . 0.65 110.368 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.04 -128.52 5.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.77 -0.932 . . . . 0.21 110.77 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.03 124.8 38.27 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.591 0.234 . . . . 1.85 110.389 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.1 mm -77.12 115.99 19.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 116.288 -0.415 . . . . 1.14 110.54 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -80.16 90.18 5.46 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.584 -0.524 . . . . 0.35 109.584 172.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -67.0 -36.95 83.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.753 -0.658 . . . . 1.17 111.281 -168.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.23 -39.12 95.86 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.748 -0.541 . . . . 0.22 111.748 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -0.71 31.79 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.465 0.543 . . . . 0.23 112.465 -175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.46 -36.15 71.06 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.766 0.317 . . . . 0.27 110.821 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -35.24 80.53 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.132 -0.485 . . . . 0.22 110.948 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -64.88 -44.06 90.91 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.416 -0.356 . . . . 1.4 110.587 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 95.1 m-85 -63.84 -31.9 73.23 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.311 -0.404 . . . . 1.23 110.913 177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.689 ' OG1' HG11 ' B' ' 53' ' ' VAL . 8.5 m -60.2 -40.08 88.84 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.401 -0.363 . . . . 0.23 110.449 173.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -63.81 -34.41 77.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.989 -0.55 . . . . 1.62 110.966 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 84.0 mtp -60.77 -46.37 90.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.606 0.241 . . . . 0.23 110.807 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.724 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -66.12 -47.51 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.356 -0.384 . . . . 0.15 110.699 -178.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.58 -37.33 75.19 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.132 -0.787 . . . . 0.15 111.132 177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -64.81 -43.8 91.96 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.43 0.157 . . . . 1.2 111.082 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 91.0 p -62.72 -37.59 87.11 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.58 -0.282 . . . . 0.25 111.116 -177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.746 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -64.99 -49.82 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 116.517 -0.311 . . . . 0.18 110.498 178.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.483 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.23 -48.18 81.13 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.408 -0.36 . . . . 0.2 111.136 -175.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.57 -40.8 84.87 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.188 -0.46 . . . . 2.01 111.201 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.43 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.27 -43.18 92.1 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.35 -0.387 . . . . 0.38 111.406 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 1.009 HD22 ' HB3' ' B' ' 37' ' ' ALA . 5.9 mp -94.01 -8.36 40.1 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.064 0.394 . . . . 1.03 112.064 -176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.34 -36.36 66.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.624 0.249 . . . . 1.62 110.583 177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.725 0 CA-C-O 118.002 -1.444 . . . . 2.86 110.925 -179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.401 -0.592 . . . . 40.71 109.401 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.62 98.53 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.238 -0.437 . . . . 38.74 111.002 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -69.25 156.98 37.85 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.222 -0.444 . . . . 37.58 110.63 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.2 mtp -94.14 152.54 18.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.185 -0.461 . . . . 36.77 110.518 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.3 t -132.35 162.06 32.02 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.21 -0.45 . . . . 35.19 110.644 -179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.8 153.56 52.97 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.969 -0.853 . . . . 34.04 110.969 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.81 -34.04 88.83 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.335 -0.706 . . . . 32.91 111.335 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -139.96 170.71 15.37 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-O 120.718 0.294 . . . . 33.71 110.762 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 61.26 106.75 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.161 -0.472 . . . . 31.99 110.981 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.06 -167.97 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.769 0 O-C-N 123.636 0.585 . . . . 30.19 112.441 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.68 38.89 11.21 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.017 -0.833 . . . . 29.26 111.017 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.0 mtt-85 -67.82 147.56 52.39 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.601 0.239 . . . . 29.88 110.607 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.32 179.81 53.06 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.007 -0.837 . . . . 27.91 111.007 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.9 p -146.9 164.42 32.97 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.629 0.252 . . . . 27.35 110.586 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 59.0 mtt 59.05 104.11 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.213 -0.449 . . . . 26.19 111.157 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.77 179.47 47.63 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.974 -0.85 . . . . 23.98 110.974 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.17 30.21 19.93 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.695 0.283 . . . . 22.72 111.303 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -170.79 105.58 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.44 -0.345 . . . . 21.49 110.64 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.0 p -66.27 -34.55 78.25 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.253 -0.43 . . . . 21.12 110.836 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.73 150.2 27.33 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.286 -0.416 . . . . 19.9 110.505 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.34 131.14 46.43 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.248 -0.433 . . . . 18.57 110.555 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.51 30.08 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.222 -0.445 . . . . 16.68 110.986 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 49.8 m -124.73 148.09 48.26 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.453 -0.34 . . . . 14.68 110.619 -179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -115.44 134.49 58.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.204 -0.453 . . . . 13.37 110.048 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -165.25 -160.66 12.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.001 -0.84 . . . . 11.78 111.001 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -130.19 -87.75 0.47 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.985 -0.846 . . . . 10.38 110.985 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -93.19 133.6 36.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.676 0.274 . . . . 11.86 110.579 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.06 176.5 33.52 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.085 -0.806 . . . . 7.68 111.085 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.9 162.6 34.37 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.802 1.668 . . . . 6.85 111.991 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -134.89 162.18 33.15 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.184 -0.462 . . . . 7.86 110.669 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.1 t -142.19 -49.53 0.37 Allowed 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.21 -0.45 . . . . 5.2 110.572 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -115.84 148.35 40.03 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.245 -0.434 . . . . 3.86 110.457 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.0 m -73.35 91.6 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.218 -0.446 . . . . 1.69 110.574 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.75 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -81.62 -58.09 0.5 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.149 -0.478 . . . . 0.49 111.295 178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 30.4 Cg_endo -60.24 -17.74 48.08 Favored 'Trans proline' 0 N--CA 1.497 1.718 0 C-N-CA 121.398 1.398 . . . . 0.49 112.782 -166.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.38 -52.98 51.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.323 -0.251 . . . . 0.32 110.323 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 1.009 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.24 -35.54 80.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 0.21 110.696 178.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.41 -43.18 99.32 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.363 -0.38 . . . . 1.34 110.862 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -40.11 90.79 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.159 -0.473 . . . . 0.31 110.602 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.74 84.65 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.178 -0.464 . . . . 0.22 110.83 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.75 85.75 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.165 -0.471 . . . . 0.2 110.652 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 39.9 m -62.83 -49.23 75.72 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.278 -0.419 . . . . 1.18 111.001 -177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.21 -22.53 57.88 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.504 -0.316 . . . . 0.24 111.305 178.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.516 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.79 -32.32 73.78 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 110.155 -0.313 . . . . 0.44 110.155 170.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.9 t -77.06 -5.62 49.57 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.909 0.337 . . . . 1.29 111.909 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 62.5 p -65.46 152.29 92.59 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 121.25 -0.18 . . . . 0.21 110.851 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.45 -33.53 86.24 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.868 1.712 . . . . 0.44 112.389 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.75 99.01 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.404 . . . . 0.16 110.714 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.68 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.32 -44.54 83.08 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.16 -0.473 . . . . 0.15 110.768 -178.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.8 p -59.78 -41.3 90.81 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.437 -0.347 . . . . 1.2 111.002 -177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.3 m -62.91 -41.62 99.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.173 -0.467 . . . . 1.26 110.688 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.1 mtm-85 -65.06 -33.35 75.83 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.208 -0.451 . . . . 0.19 111.06 178.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.689 HG11 ' OG1' ' A' ' 127' ' ' THR . 53.5 t -61.05 -45.82 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 N-CA-C 110.084 -0.339 . . . . 0.15 110.084 177.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -59.38 -45.07 92.49 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.149 -0.478 . . . . 1.08 110.669 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -61.53 -36.39 80.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.015 -0.539 . . . . 0.7 110.713 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.08 76.61 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.136 -0.484 . . . . 0.15 110.746 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.6 ' O ' HG23 ' B' ' 61' ' ' VAL . 27.4 t -63.08 -52.65 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.324 -0.398 . . . . 0.18 110.228 178.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 26.2 t -60.09 -39.22 85.36 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.244 -0.435 . . . . 1.23 111.107 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.1 m -65.13 -50.95 64.04 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.414 -0.357 . . . . 1.29 110.961 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 68.1 mt -66.61 -40.37 88.8 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.43 -0.35 . . . . 0.25 110.957 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 57' ' ' VAL . 86.6 t -65.71 -47.27 86.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.159 -0.473 . . . . 0.21 110.875 -175.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.43 -43.45 60.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.618 -0.264 . . . . 1.1 111.192 -173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -77.6 -38.76 47.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.503 -0.317 . . . . 0.27 111.015 -176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.27 105.44 0.56 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.731 -0.948 . . . . 0.22 110.731 -177.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.99 -32.03 2.54 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.411 2.074 . . . . 0.34 114.04 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.749 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.3 p -121.56 30.58 6.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.568 0.223 . . . . 0.7 111.526 -173.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.435 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -98.58 138.56 35.59 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.562 -0.29 . . . . 1.1 110.738 -179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.5 tp60 -63.28 -43.14 98.77 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 1.09 110.532 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.68 -41.05 88.71 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.178 -0.465 . . . . 0.29 110.835 -178.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.24 89.8 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.269 -0.423 . . . . 0.29 110.85 -178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 61.8 mt -63.4 -41.87 98.76 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.383 -0.371 . . . . 0.38 110.793 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.2 p -60.79 -39.13 87.72 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.462 -0.335 . . . . 0.25 110.81 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -63.69 -42.75 97.95 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.161 -0.472 . . . . 0.28 110.924 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.656 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.6 m -65.46 -47.25 76.76 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 116.358 -0.383 . . . . 0.32 110.925 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.643 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.3 -46.15 97.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.691 -0.231 . . . . 1.04 110.748 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.4 t -60.63 -51.14 70.67 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.811 0.338 . . . . 1.29 110.98 -177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.8 m -62.94 -46.45 87.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.998 -0.546 . . . . 1.2 111.155 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.72 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.5 t -63.48 -47.17 92.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.325 -0.398 . . . . 0.16 110.601 -176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.643 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.9 t -58.62 -42.66 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-O 120.68 0.276 . . . . 0.16 110.613 -177.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.56 -54.22 48.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.243 -0.435 . . . . 1.16 111.077 -178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -67.7 -36.77 81.25 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.092 -0.504 . . . . 1.06 111.529 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -62.77 -34.07 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 N-CA-C 110.435 -0.209 . . . . 0.18 110.435 178.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.2 m -66.81 -37.57 84.79 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.276 -0.42 . . . . 1.21 110.592 173.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.59 94.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.23 111.126 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.27 -37.39 69.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.336 -0.393 . . . . 0.2 110.463 177.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.588 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.2 m-20 -113.63 70.97 1.69 Allowed Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.932 -0.577 . . . . 0.2 110.912 -173.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -76.37 -30.63 5.14 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.639 1.559 . . . . 0.25 112.064 169.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.54 -30.48 77.57 Favored Glycine 0 CA--C 1.529 0.954 0 N-CA-C 111.589 -0.604 . . . . 0.25 111.589 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.588 HD12 ' HB3' ' B' ' 86' ' ' ASN . 95.5 mt -77.54 154.35 32.5 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.827 0.346 . . . . 0.22 110.955 -176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -69.65 165.05 22.04 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.957 -0.565 . . . . 0.16 110.439 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.26 -36.72 84.29 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.434 -0.666 . . . . 0.14 111.434 -177.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.58 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.68 -39.44 88.14 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.05 -0.26 . . . . 0.11 110.737 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -60.85 -35.13 75.78 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.619 -0.264 . . . . 0.16 110.958 177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.83 -46.12 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.459 -0.337 . . . . 0.14 110.242 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.603 HD13 ' HB2' ' A' ' 37' ' ' ALA . 18.8 tp -63.91 -40.28 96.13 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.15 110.913 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.58 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.3 t -59.68 -47.74 90.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.455 -0.338 . . . . 0.12 110.36 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.568 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.3 tp60 -65.02 -42.08 94.71 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.959 -0.564 . . . . 0.22 111.146 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.48 -43.87 92.8 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.923 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.54 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.7 mt -66.07 -52.16 51.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.508 -0.314 . . . . 0.18 111.511 -172.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.544 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -69.8 -29.49 66.81 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.374 -0.53 . . . . 0.35 110.98 -176.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.37 -33.03 74.92 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 121.019 -0.272 . . . . 0.14 110.698 175.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.705 HG23 ' O ' ' B' ' 98' ' ' ALA . 46.4 t -67.89 -35.64 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 109.811 -0.44 . . . . 0.12 109.811 174.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 103' ' ' VAL . 30.3 t -60.71 -44.99 98.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 109.75 -0.463 . . . . 0.09 109.75 177.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.724 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.2 -39.67 94.48 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.191 -0.459 . . . . 0.33 111.285 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.27 -42.24 98.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.817 0.341 . . . . 0.15 110.465 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.57 HD13 ' HB2' ' A' ' 106' ' ' LEU . 48.6 mt -65.48 -35.76 81.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.002 -0.545 . . . . 0.12 111.035 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.9 t -61.15 -41.18 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.121 -0.325 . . . . 0.15 110.121 176.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 18.0 m -60.71 -39.64 89.33 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.269 -0.423 . . . . 0.16 110.75 178.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.0 mt -64.41 -42.3 94.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.086 -0.506 . . . . 0.17 110.379 178.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.42 -43.62 96.94 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.399 -0.364 . . . . 0.21 111.205 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.746 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.92 -39.62 96.63 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.234 -0.746 . . . . 0.29 111.234 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 94.4 p -78.84 -27.1 44.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.44 0.162 . . . . 0.23 111.335 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 97.0 p -94.09 166.52 12.1 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.963 0.411 . . . . 0.15 111.052 -174.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 74.1 m -102.35 143.06 32.58 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.711 -0.677 . . . . 0.22 110.359 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.64 128.42 49.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.725 0.298 . . . . 0.65 110.387 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -107.01 -128.45 5.98 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 0.21 110.776 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -94.11 124.75 38.32 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.609 0.242 . . . . 1.85 110.371 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 34.9 mm -77.07 115.92 19.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.276 -0.42 . . . . 1.14 110.603 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -80.1 90.22 5.43 Favored 'General case' 0 C--O 1.232 0.16 0 N-CA-C 109.578 -0.527 . . . . 0.35 109.578 172.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.74 -37.09 83.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.715 -0.675 . . . . 1.17 111.483 -168.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -38.92 95.65 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.765 -0.534 . . . . 0.22 111.765 -174.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.15 -0.78 33.16 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.337 0.495 . . . . 0.23 112.337 -175.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.3 -36.02 70.54 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.763 0.316 . . . . 0.27 110.876 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -35.43 81.1 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.829 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.7 -43.78 92.39 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.355 -0.384 . . . . 1.4 110.665 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -64.44 -31.33 72.5 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.35 -0.386 . . . . 1.23 110.786 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.684 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.8 m -60.67 -39.75 89.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.406 -0.361 . . . . 0.23 110.326 173.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.24 -34.27 77.72 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 115.994 -0.548 . . . . 1.62 110.845 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.1 mtp -60.8 -46.16 91.6 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.652 -0.249 . . . . 0.23 110.863 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.9 t -66.39 -47.65 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.399 -0.364 . . . . 0.16 110.589 -178.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.26 -37.45 73.22 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 111.182 -0.767 . . . . 0.15 111.182 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.89 -43.49 92.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.436 0.16 . . . . 1.2 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 90.4 p -63.07 -37.45 87.26 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.528 -0.306 . . . . 0.25 110.963 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.752 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.9 t -65.17 -49.71 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.55 -0.296 . . . . 0.18 110.48 178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.32 -48.0 81.77 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.47 -0.332 . . . . 0.2 111.08 -175.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.84 -40.54 83.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.239 -0.437 . . . . 2.01 111.159 -177.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.445 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.38 -43.38 90.92 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.315 -0.402 . . . . 0.38 111.277 -173.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.986 HD22 ' HB3' ' A' ' 37' ' ' ALA . 5.9 mp -93.59 -9.16 39.04 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.959 0.355 . . . . 1.03 111.959 -176.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.81 -36.23 67.5 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.644 0.259 . . . . 1.62 110.661 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.94 110.924 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.353 -0.61 . . . . 36.65 109.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.05 -35.34 79.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.143 -0.481 . . . . 37.14 110.742 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -116.82 149.87 39.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.255 -0.429 . . . . 36.26 110.454 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -87.44 136.54 32.9 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.162 -0.472 . . . . 36.12 110.569 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.8 m -66.08 -37.4 85.69 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.164 -0.471 . . . . 35.35 110.648 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.26 -177.57 35.4 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.879 -0.888 . . . . 34.84 110.879 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.9 -173.31 45.83 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.957 -0.857 . . . . 34.37 110.957 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mt-30 -88.83 123.7 33.47 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 120.585 0.231 . . . . 34.86 110.441 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -119.44 139.93 51.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 33.57 110.592 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -138.5 144.24 39.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.13 -0.486 . . . . 32.05 110.475 178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 80.21 -164.11 47.55 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.935 -0.866 . . . . 30.8 110.935 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.2 mtm180 -125.26 150.03 47.45 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 120.681 0.277 . . . . 30.94 110.468 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.23 112.35 0.52 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.895 -0.882 . . . . 29.08 110.895 179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -141.09 147.42 38.5 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.633 0.254 . . . . 27.99 110.525 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.71 -35.44 81.06 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.217 -0.447 . . . . 27.87 110.824 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -138.11 167.92 24.76 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.864 -0.894 . . . . 26.05 110.864 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.63 83.3 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.585 0.231 . . . . 24.72 110.701 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -167.27 35.16 0.03 OUTLIER 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.241 -0.436 . . . . 23.32 110.702 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.18 133.95 39.62 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.271 -0.422 . . . . 22.02 110.608 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.462 ' O ' HG23 ' A' ' 22' ' ' VAL . . . -69.05 -40.29 78.64 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.244 -0.435 . . . . 21.23 110.618 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 60.18 32.81 21.01 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.174 -0.466 . . . . 19.47 111.148 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 20' ' ' ALA . 22.5 t -122.23 137.53 55.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.298 -0.41 . . . . 17.85 110.076 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -95.67 153.96 17.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.27 -0.423 . . . . 14.96 110.467 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.18 135.91 61.6 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.131 -0.486 . . . . 14.71 110.151 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.29 -121.03 12.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.996 -0.842 . . . . 11.62 110.996 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 153.73 53.12 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.87 -0.892 . . . . 9.69 110.87 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -101.48 30.43 4.26 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-O 120.643 0.258 . . . . 14.31 110.869 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.78 71.26 1.22 Allowed Glycine 0 CA--C 1.531 1.053 0 N-CA-C 110.938 -0.865 . . . . 7.32 110.938 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.3 147.7 78.68 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.728 1.618 . . . . 5.74 111.987 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -98.46 45.27 1.01 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.091 0.472 . . . . 8.09 110.543 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.6 t 59.21 170.71 0.07 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.911 -0.586 . . . . 3.07 111.124 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -114.99 40.16 2.7 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.214 0.53 . . . . 2.27 110.474 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.4 t -78.47 -29.08 46.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.613 -0.721 . . . . 0.79 111.1 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.723 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -55.76 -59.3 11.86 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 116.486 -0.325 . . . . 0.47 111.587 -177.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 21.0 Cg_endo -61.59 -25.11 78.89 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.367 1.378 . . . . 0.44 112.609 -173.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.477 HG12 HD22 ' B' ' 95' ' ' LEU . 24.7 t -63.24 -47.87 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.764 0.316 . . . . 0.31 110.245 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.829 ' HB2' HD11 ' B' ' 95' ' ' LEU . . . -66.19 -34.33 77.8 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.196 -0.457 . . . . 0.24 110.768 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.8 t -60.55 -44.09 96.5 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.803 0.335 . . . . 1.14 110.775 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.51 91.39 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.096 -0.502 . . . . 0.24 110.636 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.91 -37.74 88.18 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.05 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.49 79.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.259 -0.428 . . . . 0.17 110.724 178.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 m -62.87 -50.04 72.5 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.495 -0.321 . . . . 1.26 110.794 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.29 -22.81 57.46 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.447 -0.342 . . . . 2.91 111.527 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.3 tp -61.1 -32.21 71.89 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 110.259 -0.274 . . . . 0.16 110.259 168.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.4 m -75.86 -12.45 60.16 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.78 0.289 . . . . 1.35 111.78 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 54.4 p -64.78 152.12 91.08 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 121.338 -0.145 . . . . 0.25 110.888 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.58 -31.42 94.5 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.749 1.633 . . . . 0.57 112.172 -178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.45 -40.13 96.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.41 110.596 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.16 -46.75 76.32 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.671 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.2 p -59.2 -40.58 86.19 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.892 0.377 . . . . 1.2 111.059 -177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.32 98.64 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.1 -0.5 . . . . 1.37 110.706 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.666 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.99 -32.67 74.51 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.185 -0.461 . . . . 1.87 111.105 178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.7 t -61.21 -45.42 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.94 -0.393 . . . . 0.21 109.94 176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.8 m -59.04 -43.98 91.72 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.19 -0.459 . . . . 1.19 110.685 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -62.33 -37.08 84.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.932 -0.576 . . . . 1.23 110.735 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.54 -34.26 76.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.826 177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.2 t -63.51 -52.4 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.182 178.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.68 -37.71 79.52 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.26 -0.427 . . . . 0.95 111.235 -177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 87.0 p -65.81 -53.33 41.61 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.32 -0.4 . . . . 1.23 110.903 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.71 -40.07 91.87 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.226 -0.443 . . . . 0.21 111.075 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.7 t -65.97 -48.93 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.362 -0.381 . . . . 0.22 110.939 -176.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -72.14 -43.25 64.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.595 -0.275 . . . . 1.31 111.115 -174.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -75.91 -37.88 58.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.475 -0.33 . . . . 0.24 110.905 -177.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 111.95 1.01 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.592 -1.003 . . . . 0.18 110.592 -177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.55 -32.23 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.856 0 C-N-CA 122.489 2.126 . . . . 0.3 114.204 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.807 HG21 ' HA2' ' B' ' 111' ' ' GLY . 80.6 p -125.86 31.12 5.54 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 111.64 0.237 . . . . 0.51 111.64 -174.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -93.06 135.71 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.616 -0.266 . . . . 0.56 110.772 178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.35 -43.93 98.04 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.887 0.375 . . . . 0.75 110.664 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.76 81.35 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.805 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.79 88.68 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.753 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.72 -41.32 99.1 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.791 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.47 -42.28 99.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.416 -0.356 . . . . 0.18 110.993 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.71 -45.1 91.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.275 -0.42 . . . . 0.98 111.258 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.637 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.1 m -64.64 -45.54 86.39 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.321 -0.4 . . . . 0.29 110.891 -177.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' A' ' 79' ' ' VAL . 65.5 mt -62.91 -46.5 96.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.645 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.6 t -60.46 -51.29 70.11 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.927 0.394 . . . . 1.25 110.945 -177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.96 -47.16 84.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.851 -0.613 . . . . 1.39 111.172 -176.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.7 t -64.27 -46.78 92.31 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.324 -0.398 . . . . 0.23 110.7 -175.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 75' ' ' ILE . 89.6 t -59.03 -42.2 85.59 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.686 0.279 . . . . 0.16 110.459 -177.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.33 -53.99 50.98 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.975 0.417 . . . . 1.08 111.02 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.14 -36.67 82.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.458 -174.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.8 t -63.01 -36.46 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 N-CA-C 110.37 -0.233 . . . . 0.22 110.37 178.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -64.47 -38.11 89.89 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.469 -0.332 . . . . 1.19 110.84 174.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.55 98.2 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.109 -0.496 . . . . 0.29 111.268 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.33 -36.31 66.18 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.277 -0.419 . . . . 0.27 110.49 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.556 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.47 71.34 1.16 Allowed Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.938 -174.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -77.04 -32.49 3.18 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.692 1.594 . . . . 0.19 112.017 169.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.62 -30.41 77.85 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.6 152.59 28.48 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.753 0.311 . . . . 0.21 110.696 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.7 m -67.76 164.29 19.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.69 -177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -38.86 94.1 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.444 -0.662 . . . . 0.14 111.444 -178.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.36 -37.18 84.73 Favored 'General case' 0 CA--C 1.527 0.078 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.685 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -60.85 -37.92 83.73 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.649 -0.251 . . . . 0.15 110.905 177.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.5 t -62.7 -42.87 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.365 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -63.88 -40.91 97.63 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.184 -0.462 . . . . 0.18 110.915 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.2 t -60.0 -45.39 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 110.024 -0.362 . . . . 0.13 110.024 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.63 -43.14 97.71 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.906 -0.588 . . . . 1.11 111.278 -174.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.42 -42.97 91.92 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.1 111.005 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.522 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.2 mt -67.17 -50.55 60.71 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.92 -0.312 . . . . 0.23 111.714 -172.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.53 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.18 -29.59 65.37 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.164 -0.614 . . . . 0.48 110.562 -176.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -65.13 -31.73 73.06 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.003 -0.279 . . . . 1.1 110.689 175.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -66.8 -36.75 77.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 N-CA-C 109.888 -0.412 . . . . 0.13 109.888 172.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.1 t -60.91 -42.07 91.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.091 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.746 ' HA ' HG21 ' B' ' 130' ' ' VAL . 90.0 p -66.49 -39.81 88.94 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.34 -178.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.51 -42.59 96.7 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.924 0.393 . . . . 0.15 110.384 178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.562 ' HB2' HD13 ' B' ' 106' ' ' LEU . 53.4 mt -65.37 -35.76 81.93 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.824 -0.626 . . . . 0.11 111.188 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.9 t -60.58 -42.63 92.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 120.737 0.303 . . . . 0.12 110.207 176.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.9 m -60.58 -41.72 95.24 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.467 . . . . 0.14 110.925 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.6 mt -63.5 -42.37 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.108 -0.496 . . . . 0.16 110.474 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.407 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 86.1 mt -63.22 -44.81 94.23 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 116.54 -0.3 . . . . 0.16 111.346 -177.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.812 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.71 -39.2 95.18 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.42 -0.672 . . . . 0.23 111.42 -176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.4 p -80.45 -23.47 40.23 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.508 0.188 . . . . 0.28 111.508 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.407 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 94.9 p -94.55 166.27 12.12 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.792 0.33 . . . . 0.14 110.814 -177.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.8 m -98.36 135.89 39.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.925 -0.58 . . . . 0.09 110.496 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.7 120.06 45.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.13 110.501 -179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.19 -122.21 4.84 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.629 -0.989 . . . . 0.3 110.629 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.64 137.89 38.43 Favored 'General case' 0 C--O 1.232 0.183 0 N-CA-C 110.097 -0.335 . . . . 2.06 110.097 175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.538 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.49 128.95 48.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.473 -177.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -83.62 95.84 8.48 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.115 -0.493 . . . . 0.67 109.96 175.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -41.02 89.33 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.262 -170.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.17 -33.68 87.6 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.766 -0.533 . . . . 0.21 111.766 -175.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.87 -1.51 35.39 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.359 0.503 . . . . 0.18 112.359 -175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.5 p -57.36 -35.69 70.27 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.721 0.296 . . . . 0.17 111.009 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -37.32 86.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.982 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.69 -42.61 95.19 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.954 0.407 . . . . 1.12 110.498 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -62.89 -31.76 72.88 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.182 -0.463 . . . . 1.22 110.868 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.467 ' CG2' HG21 ' B' ' 53' ' ' VAL . 3.1 m -60.75 -39.81 90.12 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.624 174.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.32 -34.43 77.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.117 -0.492 . . . . 1.64 110.847 176.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.5 mtp -62.41 -50.53 71.15 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.642 -0.254 . . . . 0.44 110.861 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.4 t -65.33 -46.62 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.67 -177.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.43 -39.08 90.02 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.347 -0.701 . . . . 0.18 111.347 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.93 -45.82 87.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.657 0.265 . . . . 1.21 111.047 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.3 p -62.19 -35.84 80.08 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.273 -0.421 . . . . 0.24 111.12 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.758 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.1 t -64.53 -48.68 83.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.381 -0.372 . . . . 0.23 110.5 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.636 ' O ' ' HB3' ' A' ' 139' ' ' ALA . . . -62.82 -43.58 98.41 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.334 -0.393 . . . . 0.27 111.292 -176.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.07 -49.01 66.49 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.217 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.88 -43.14 84.25 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.365 -0.38 . . . . 0.36 111.237 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.73 ' O ' ' HB1' ' B' ' 34' ' ' ALA . 10.5 mp -101.14 14.29 32.43 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 112.206 0.447 . . . . 0.87 112.206 -175.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.636 ' HB3' ' O ' ' A' ' 135' ' ' ALA . . . -161.4 -46.52 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.569 0.223 . . . . 1.16 110.751 178.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.011 -1.438 . . . . 2.62 110.882 -179.905 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.358 -0.608 . . . . 33.16 109.358 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.8 -34.87 78.77 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.207 -0.451 . . . . 32.82 110.805 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.6 t -103.44 144.45 31.38 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.329 -0.396 . . . . 32.83 110.598 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.3 mtp -97.84 163.2 12.9 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.207 -0.452 . . . . 34.46 110.585 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -77.79 168.38 20.03 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.193 -0.458 . . . . 31.75 110.584 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 93.28 -156.23 22.66 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.915 -0.874 . . . . 30.32 110.915 -179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.77 149.53 51.39 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.032 -0.827 . . . . 29.16 111.032 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.81 -36.51 84.57 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 120.608 0.242 . . . . 29.37 110.948 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -167.72 -64.49 0.03 OUTLIER 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.221 -0.445 . . . . 29.22 110.625 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 15.8 ttt -125.84 38.24 4.19 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.219 -0.446 . . . . 27.3 110.439 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -100.28 34.94 5.14 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.081 -0.807 . . . . 26.28 111.081 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.45 -37.44 87.54 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.616 0.246 . . . . 27.96 110.709 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.98 -175.49 51.05 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.97 -0.852 . . . . 25.39 110.97 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 95.1 p -115.13 153.48 30.7 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 25.26 110.508 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.05 -35.96 82.83 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.158 -0.474 . . . . 25.89 110.926 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.18 -166.52 40.53 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.952 -0.859 . . . . 24.22 110.952 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.81 135.21 36.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.633 0.254 . . . . 23.68 110.547 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.04 157.56 42.98 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.147 -0.479 . . . . 22.43 110.611 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.4 p -111.43 150.79 29.34 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.292 -0.413 . . . . 21.41 110.512 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.403 ' O ' ' HB3' ' B' ' 21' ' ' ALA . . . -150.3 160.26 43.84 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.245 -0.434 . . . . 20.15 110.651 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' B' ' 20' ' ' ALA . . . 67.78 -68.8 0.15 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.195 -0.457 . . . . 19.42 110.991 -178.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.4 m -130.35 156.47 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.596 -0.274 . . . . 18.26 110.723 -178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.7 m -122.29 150.19 42.69 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.205 -0.452 . . . . 17.23 110.451 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -109.0 134.1 52.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.204 -0.453 . . . . 16.38 110.111 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.56 -37.09 3.74 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.979 -0.849 . . . . 14.42 110.979 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.13 173.87 13.85 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.904 -0.879 . . . . 12.9 110.904 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -138.91 145.65 40.13 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.65 0.262 . . . . 12.61 110.518 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.55 -165.47 47.29 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.975 -0.85 . . . . 8.77 110.975 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -56.66 149.68 57.39 Favored 'Trans proline' 0 N--CA 1.499 1.842 0 C-N-CA 121.954 1.769 . . . . 7.53 112.317 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -64.12 -35.48 80.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.181 -0.463 . . . . 8.51 110.957 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -119.91 147.6 44.52 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.238 -0.437 . . . . 5.0 110.504 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.1 p -143.03 164.44 30.09 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.135 -0.484 . . . . 3.86 110.439 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -67.55 143.22 56.22 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.211 -0.45 . . . . 1.67 110.724 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.73 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -179.74 -60.68 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 116.286 -0.416 . . . . 0.47 111.029 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 20.4 Cg_endo -61.0 -25.3 81.3 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.554 1.503 . . . . 0.44 112.532 -173.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.489 HG12 HD22 ' A' ' 95' ' ' LEU . 24.6 t -63.17 -47.8 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 120.738 0.304 . . . . 0.32 110.309 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.853 ' HB2' HD11 ' A' ' 95' ' ' LEU . . . -66.26 -34.33 77.75 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.187 -0.46 . . . . 0.24 110.709 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.9 t -60.62 -43.99 96.86 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.53 -0.305 . . . . 1.14 110.733 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.31 90.85 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.174 -0.467 . . . . 0.24 110.597 178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.54 87.67 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.225 -0.443 . . . . 0.18 110.884 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.3 -36.56 79.53 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.27 -0.423 . . . . 0.17 110.732 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 49.1 m -62.94 -49.64 73.95 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.372 -0.377 . . . . 1.26 110.951 -178.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.8 ptt180 -75.92 -22.11 56.37 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.476 -0.329 . . . . 2.91 111.44 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.464 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.24 -32.73 72.53 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 110.159 -0.311 . . . . 0.16 110.159 168.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -75.45 -12.59 60.27 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 116.518 -0.31 . . . . 1.35 111.775 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 54.5 p -64.73 152.37 90.3 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.286 -0.166 . . . . 0.25 110.824 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.84 -31.41 95.24 Favored 'Trans proline' 0 N--CA 1.498 1.752 0 C-N-CA 121.825 1.683 . . . . 0.58 112.143 -178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.17 96.54 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.326 -0.397 . . . . 0.41 110.665 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.547 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.11 -46.69 76.68 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.052 -0.522 . . . . 0.29 110.721 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.24 -40.62 86.49 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.406 -0.361 . . . . 1.2 111.077 -177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.42 -41.21 98.52 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.662 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.684 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.5 mtm-85 -65.12 -32.63 74.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.096 -0.502 . . . . 1.87 111.097 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.547 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.7 t -61.29 -45.24 99.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 N-CA-C 109.979 -0.378 . . . . 0.21 109.979 176.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.22 -43.99 92.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.235 -0.439 . . . . 1.19 110.579 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.36 -36.93 83.8 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.019 -0.537 . . . . 1.23 110.645 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.3 76.85 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.273 -0.421 . . . . 0.18 110.68 177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.609 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.0 t -63.47 -52.39 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-N 116.407 -0.36 . . . . 0.15 110.154 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.72 -37.73 79.73 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.416 -0.356 . . . . 0.95 111.152 -177.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 87.4 p -65.85 -53.21 42.88 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.394 -0.366 . . . . 1.23 110.89 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.78 -40.03 91.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.298 -0.41 . . . . 0.21 111.038 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.4 t -66.01 -49.02 79.66 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.22 110.931 -175.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -71.85 -43.42 65.54 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.555 -0.293 . . . . 1.31 111.166 -174.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -75.74 -37.96 58.86 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.497 -0.32 . . . . 0.24 110.913 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.1 111.85 1.0 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.604 -0.998 . . . . 0.18 110.604 -177.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -41.24 -32.4 1.14 Allowed 'Trans proline' 0 N--CA 1.499 1.846 0 C-N-CA 122.559 2.173 . . . . 0.3 114.204 178.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.812 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.7 p -125.99 31.61 5.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.635 0.255 . . . . 0.51 111.621 -174.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -93.51 135.59 34.61 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.63 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tp-100 -61.22 -44.12 97.78 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.838 0.351 . . . . 0.75 110.671 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.95 -35.87 81.77 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.94 -0.573 . . . . 0.19 110.82 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.61 88.99 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.362 -0.381 . . . . 0.21 110.74 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.94 -40.98 99.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.382 -0.372 . . . . 0.25 110.777 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.8 p -62.93 -41.87 99.62 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.423 -0.353 . . . . 0.18 110.923 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.04 -45.12 90.27 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.21 -0.45 . . . . 0.98 111.091 -177.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.64 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -64.63 -45.63 86.0 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.836 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.642 ' O ' HG23 ' B' ' 79' ' ' VAL . 65.5 mt -62.87 -46.48 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.7 -177.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 15.4 t -60.34 -51.36 69.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.768 0.318 . . . . 1.25 110.939 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 t -63.06 -47.13 84.27 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.049 -0.523 . . . . 1.39 111.114 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.6 t -64.24 -46.87 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.418 -0.355 . . . . 0.23 110.668 -175.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.5 t -58.92 -42.13 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-O 120.576 0.227 . . . . 0.16 110.548 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.4 -54.05 50.21 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.28 -0.418 . . . . 1.08 111.032 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.12 -36.61 82.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.035 -0.53 . . . . 0.93 111.422 -174.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.6 t -63.14 -35.92 73.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 110.397 -0.223 . . . . 0.22 110.397 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -65.24 -37.57 87.64 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.354 -0.384 . . . . 1.19 110.681 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.81 99.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.144 -0.48 . . . . 0.29 111.065 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.89 -35.85 67.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.331 -0.395 . . . . 0.27 110.649 179.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.581 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.05 70.97 1.3 Allowed Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.064 -0.517 . . . . 0.23 110.829 -174.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -77.05 -32.41 3.22 Favored 'Trans proline' 0 N--CA 1.495 1.608 0 C-N-CA 121.644 1.563 . . . . 0.19 111.939 169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.75 -30.56 78.29 Favored Glycine 0 CA--C 1.529 0.943 0 N-CA-C 111.435 -0.666 . . . . 0.18 111.435 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.6 mt -80.34 152.46 28.93 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.659 0.266 . . . . 0.21 110.875 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.57 164.29 19.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.09 -0.505 . . . . 0.19 110.775 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.46 -38.92 94.22 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 111.389 -0.684 . . . . 0.14 111.389 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.5 t -66.36 -37.03 84.38 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.003 -0.279 . . . . 0.11 110.725 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -61.06 -37.51 82.94 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.65 -0.25 . . . . 0.15 110.743 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.29 -42.63 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.128 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.829 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -64.15 -40.73 96.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.244 -0.435 . . . . 0.18 110.864 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.8 t -60.13 -45.22 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 116.328 -0.397 . . . . 0.13 110.043 178.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.584 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.4 tp60 -63.7 -43.04 97.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.843 -0.617 . . . . 1.11 111.249 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.56 -42.97 91.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.244 -0.435 . . . . 0.1 110.976 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.515 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.4 mt -66.63 -52.13 48.49 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.438 -0.347 . . . . 0.23 111.503 -173.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.66 66.98 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 120.334 -0.546 . . . . 0.48 110.989 -176.401 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -65.28 -31.42 72.56 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.682 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.38 -36.3 76.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 N-CA-C 109.672 -0.492 . . . . 0.13 109.672 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.0 t -61.44 -41.79 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.259 -0.428 . . . . 0.09 109.93 178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' A' ' 130' ' ' VAL . 89.8 p -66.77 -39.56 87.9 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.292 -0.413 . . . . 0.27 111.307 -177.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.19 97.02 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.854 0.359 . . . . 0.15 110.346 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.562 HD13 ' HB2' ' A' ' 106' ' ' LEU . 53.2 mt -65.76 -35.73 81.56 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.94 -0.573 . . . . 0.11 111.08 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -60.64 -42.32 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.7 m -60.88 -41.48 96.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.2 -0.455 . . . . 0.14 110.908 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.42 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.3 mt -63.77 -42.04 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.113 -0.494 . . . . 0.16 110.469 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.449 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 85.7 mt -63.44 -44.77 93.58 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.403 -0.362 . . . . 0.16 111.289 -177.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.807 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.4 -39.83 96.01 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.297 -0.721 . . . . 0.23 111.297 -177.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.8 p -80.13 -23.87 40.86 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 111.474 0.175 . . . . 0.28 111.474 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.449 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.6 p -93.78 166.86 11.99 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.833 0.349 . . . . 0.14 110.831 -177.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 42.8 m -98.87 135.91 39.64 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.09 110.41 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -96.82 120.06 45.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.427 -179.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.16 -122.33 4.86 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.635 -0.986 . . . . 0.3 110.635 178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -100.51 137.91 38.28 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.528 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -97.52 128.86 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 116.393 -0.367 . . . . 1.21 110.469 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -83.57 95.98 8.49 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.015 -0.539 . . . . 0.67 109.849 175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.61 -40.97 89.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.863 -0.608 . . . . 1.26 111.297 -170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.26 -33.56 87.14 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.725 -0.55 . . . . 0.21 111.725 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.95 -1.73 36.71 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.364 0.505 . . . . 0.18 112.364 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.15 -35.57 69.7 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.676 0.274 . . . . 0.17 111.002 -178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -37.38 86.46 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 116.291 -0.413 . . . . 0.19 110.916 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.48 -42.46 95.87 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.263 -0.426 . . . . 1.12 110.48 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -63.44 -31.11 72.18 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.293 -0.412 . . . . 1.22 110.824 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.473 ' CG2' HG21 ' A' ' 53' ' ' VAL . 3.2 m -61.34 -39.4 90.44 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.478 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.73 -34.3 77.58 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.168 -0.469 . . . . 1.64 110.775 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 51.9 mtp -62.48 -50.35 71.78 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.594 -0.275 . . . . 0.44 110.833 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.746 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.3 t -65.49 -46.82 88.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.539 -177.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.44 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.22 -39.05 89.47 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.453 -0.659 . . . . 0.18 111.453 177.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.04 -45.58 88.22 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.596 0.236 . . . . 1.21 110.945 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -62.49 -35.67 80.09 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.002 -177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 80.2 t -64.64 -48.53 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.406 -0.361 . . . . 0.24 110.445 178.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' B' ' 139' ' ' ALA . . . -63.09 -43.41 98.6 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.35 -0.386 . . . . 0.27 111.115 -175.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -67.35 -48.66 66.83 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.411 -0.359 . . . . 2.28 111.227 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.07 83.15 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.372 -0.376 . . . . 0.36 111.165 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.723 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 10.6 mp -101.2 14.6 31.45 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 112.125 0.417 . . . . 0.87 112.125 -175.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' B' ' 135' ' ' ALA . . . -161.73 -46.73 0.04 OUTLIER 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.621 0.248 . . . . 1.16 110.561 178.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.831 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.881 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.382 -0.599 . . . . 36.65 109.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.02 143.98 30.51 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.166 -0.47 . . . . 37.14 110.609 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -135.63 154.71 51.23 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.12 -0.491 . . . . 36.26 110.513 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -92.0 -66.55 0.92 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.156 -0.474 . . . . 36.12 110.637 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -66.89 -38.76 86.88 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.255 -0.43 . . . . 35.35 110.632 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.6 -144.92 13.92 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.885 -0.886 . . . . 34.84 110.885 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.88 -177.54 37.51 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.918 -0.873 . . . . 34.37 110.918 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.5 39.64 17.95 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.952 0.406 . . . . 34.86 110.914 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -65.16 -36.0 82.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.028 -0.533 . . . . 33.57 110.87 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.2 mtt -122.37 145.95 47.79 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.24 -0.436 . . . . 32.05 110.524 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.19 -42.8 94.11 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.15 -0.78 . . . . 30.8 111.15 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -65.62 -37.78 87.56 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.705 0.288 . . . . 30.94 110.649 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.08 -177.07 51.83 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.975 -0.85 . . . . 29.08 110.975 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t 63.26 128.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.767 0.318 . . . . 27.99 110.926 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -64.56 -36.92 85.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.112 -0.495 . . . . 27.87 110.858 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.43 36.77 59.02 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.014 -0.835 . . . . 26.05 111.014 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -143.27 154.52 43.9 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.59 0.233 . . . . 24.72 110.638 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.7 35.65 0.7 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.166 -0.47 . . . . 23.32 110.586 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -107.0 142.56 36.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.194 -0.457 . . . . 22.02 110.537 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.03 81.27 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.223 -0.444 . . . . 21.23 110.771 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.59 153.48 40.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.3 -0.409 . . . . 19.47 110.602 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -122.34 136.83 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.225 -0.443 . . . . 17.85 110.113 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.9 t -109.14 141.61 41.1 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.207 -0.451 . . . . 14.96 110.517 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -118.84 133.83 64.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.215 -0.448 . . . . 14.71 110.091 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -173.17 51.79 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.003 -0.839 . . . . 11.62 111.003 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -173.23 37.31 0.14 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.957 -0.857 . . . . 9.69 110.957 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -111.8 31.03 6.49 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.671 0.272 . . . . 14.31 110.901 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.88 72.6 0.99 Allowed Glycine 0 CA--C 1.529 0.923 0 N-CA-C 110.871 -0.892 . . . . 7.32 110.871 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.34 -176.83 1.78 Allowed 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 121.831 1.687 . . . . 5.74 112.157 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 60.89 45.2 9.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.151 0.5 . . . . 8.09 110.906 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 t 58.5 171.69 0.06 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.896 -0.593 . . . . 3.07 111.253 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.1 m -101.82 41.85 1.18 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.168 0.509 . . . . 2.27 110.358 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.3 t -66.68 -31.57 72.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.743 -0.662 . . . . 0.79 111.19 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.704 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -58.34 -59.29 13.9 Favored Pre-proline 0 N--CA 1.466 0.365 0 CA-C-N 116.514 -0.312 . . . . 0.47 111.557 -176.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -56.48 -23.52 48.07 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 C-N-CA 121.534 1.489 . . . . 0.44 112.633 -176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.517 HG12 HD22 ' B' ' 95' ' ' LEU . 25.4 t -65.18 -49.12 80.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.058 -0.349 . . . . 0.31 110.058 176.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.73 -34.88 79.2 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.271 -0.422 . . . . 0.24 110.807 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.9 m -61.45 -44.21 97.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.401 -0.363 . . . . 1.14 110.865 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.27 -39.91 93.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.49 . . . . 0.24 110.633 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.65 88.04 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.173 -0.467 . . . . 0.18 111.003 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.77 -39.53 87.87 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.248 -0.433 . . . . 0.17 110.66 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.4 m -62.68 -49.38 75.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.421 -0.354 . . . . 1.26 110.998 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -75.25 -23.03 57.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.83 -0.348 . . . . 2.91 111.486 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' B' ' 127' ' ' THR . 11.1 tp -63.08 -32.3 73.64 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.654 -0.248 . . . . 0.16 110.601 172.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.1 p -78.83 -4.33 49.01 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 111.887 0.329 . . . . 1.35 111.887 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.03 152.17 94.11 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-O 120.443 0.163 . . . . 0.25 110.757 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.41 -31.61 94.43 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.741 1.627 . . . . 0.57 112.097 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.56 -40.62 97.45 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.296 -0.411 . . . . 0.41 110.62 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.05 -45.78 80.14 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.141 -0.481 . . . . 0.29 110.75 -179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -58.87 -40.49 84.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.863 0.363 . . . . 1.2 111.143 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.6 -42.15 99.4 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.7 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.1 mtm-85 -64.56 -32.76 74.55 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.212 -0.449 . . . . 1.87 111.093 178.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.2 t -60.95 -45.96 97.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 109.919 -0.401 . . . . 0.21 109.919 176.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.9 m -59.0 -44.74 91.69 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.209 -0.45 . . . . 1.19 110.764 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.2 m -62.11 -38.31 88.41 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.732 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.34 -34.77 77.29 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.283 -0.417 . . . . 0.18 110.916 177.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.5 t -63.17 -52.03 64.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.309 -0.405 . . . . 0.15 110.17 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -59.65 -39.57 84.81 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.376 -0.374 . . . . 0.95 111.302 -176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.8 m -65.86 -51.76 56.03 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.267 -0.424 . . . . 1.23 110.953 -177.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD23 ' A' ' 71' ' ' LEU . 46.4 mt -66.72 -40.27 88.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.434 -0.348 . . . . 0.21 111.037 -177.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.0 t -65.88 -47.51 85.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.22 110.997 -175.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -72.27 -43.02 64.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.586 -0.279 . . . . 1.31 111.086 -174.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.454 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 20.6 m -74.03 -42.85 59.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.559 -0.291 . . . . 0.24 110.956 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.63 114.36 1.07 Allowed Glycine 0 CA--C 1.532 1.106 0 N-CA-C 110.777 -0.929 . . . . 0.18 110.777 -177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -41.5 -32.1 1.29 Allowed 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 122.492 2.128 . . . . 0.3 114.187 174.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 74.2 p -113.32 28.75 8.53 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 111.738 0.273 . . . . 0.51 111.738 -175.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 11.3 t-20 -95.69 121.5 37.47 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.692 -0.231 . . . . 0.56 110.875 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.72 -41.07 98.14 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.477 -0.328 . . . . 0.75 110.622 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.35 94.78 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.313 -0.403 . . . . 0.19 110.722 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 67' ' ' ASN . . . -66.03 -40.32 90.92 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.15 -0.477 . . . . 0.21 110.776 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.5 HD23 HD21 ' A' ' 60' ' ' LEU . 42.6 mt -62.38 -42.34 99.34 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.421 -0.354 . . . . 0.25 110.811 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.67 -41.7 99.23 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.333 -0.394 . . . . 0.18 110.886 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.19 -44.02 96.55 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.239 -178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.6 m -65.07 -44.07 90.15 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.352 -0.386 . . . . 0.29 110.792 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.1 mt -62.85 -46.56 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.515 -0.311 . . . . 1.01 110.643 -178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -61.3 -48.39 81.62 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.845 0.355 . . . . 1.25 110.897 -177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 m -63.43 -46.89 84.24 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.945 -0.57 . . . . 1.39 111.068 -177.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.6 t -63.97 -46.24 94.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.332 -0.395 . . . . 0.23 110.642 -176.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 75' ' ' ILE . 95.1 t -59.19 -42.34 86.59 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.703 0.287 . . . . 0.16 110.508 -177.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.5 t -60.5 -54.08 49.83 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.992 0.425 . . . . 1.08 111.048 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -67.11 -36.09 81.18 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.857 -0.611 . . . . 0.93 111.43 -174.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.5 t -63.24 -34.84 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 121.134 -0.226 . . . . 0.22 110.398 177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.81 -39.35 93.44 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.358 -0.383 . . . . 1.19 110.836 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.7 95.66 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.29 111.201 -178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.49 -37.05 65.86 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.279 -0.419 . . . . 0.27 110.334 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.598 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.82 70.61 1.2 Allowed Pre-proline 0 CA--C 1.537 0.479 0 CA-C-N 116.1 -0.5 . . . . 0.23 110.962 -174.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -76.19 -32.54 4.04 Favored 'Trans proline' 0 N--CA 1.496 1.621 0 C-N-CA 121.57 1.513 . . . . 0.19 111.983 169.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.4 -29.84 76.2 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.6 mt -80.25 151.37 29.65 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.706 0.288 . . . . 0.21 110.762 -177.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.1 163.84 21.59 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.051 -0.522 . . . . 0.19 110.696 -177.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.77 93.7 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.566 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.1 t -65.58 -36.85 84.97 Favored 'General case' 0 N--CA 1.461 0.114 0 C-N-CA 121.115 -0.234 . . . . 0.11 110.653 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.76 -37.13 83.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.765 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.7 t -62.24 -44.74 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.324 -0.398 . . . . 0.15 110.363 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.68 HD11 ' HB2' ' B' ' 37' ' ' ALA . 15.9 tp -62.7 -40.96 98.77 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.248 -0.433 . . . . 0.18 110.884 -179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.4 t -60.28 -45.18 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-N 116.278 -0.419 . . . . 0.13 110.071 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.563 ' HB3' HG11 ' A' ' 82' ' ' VAL . 41.9 tp60 -63.97 -43.9 94.37 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.958 -0.564 . . . . 1.11 111.4 -174.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.87 -41.91 91.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.1 111.021 -178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.482 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.5 mt -67.3 -50.56 59.77 Favored 'General case' 0 C--O 1.233 0.217 0 C-N-CA 120.98 -0.288 . . . . 0.23 111.732 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.9 -29.86 66.05 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 120.153 -0.619 . . . . 0.48 110.525 -176.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -64.02 -32.83 74.52 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.723 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.3 t -67.07 -36.37 76.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.922 -0.399 . . . . 0.13 109.922 173.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' B' ' 103' ' ' VAL . 27.1 t -60.46 -44.6 96.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 116.283 -0.417 . . . . 0.09 109.985 177.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.74 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -64.56 -41.81 96.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.082 -0.508 . . . . 0.27 111.408 -177.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.18 86.47 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.033 0.444 . . . . 0.15 110.437 178.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.575 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.3 mt -66.22 -35.54 80.71 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.798 -0.637 . . . . 0.11 111.277 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 103' ' ' VAL . 85.6 t -60.18 -42.54 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-O 120.77 0.319 . . . . 0.12 110.194 176.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.35 -43.57 96.37 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.156 -0.474 . . . . 0.14 110.896 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.61 -43.27 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.11 -0.495 . . . . 0.16 110.61 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' B' ' 106' ' ' LEU . 59.2 mt -62.38 -47.82 82.49 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.356 -176.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -68.31 -39.27 87.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.296 -0.722 . . . . 0.23 111.296 -176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.0 p -73.09 -24.83 60.7 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 120.5 0.191 . . . . 0.28 111.248 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 87.5 p -94.49 166.28 12.13 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.79 0.328 . . . . 0.14 110.66 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 m -94.99 134.07 38.07 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.934 -0.575 . . . . 0.09 110.394 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -95.77 118.3 41.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.405 -0.361 . . . . 0.13 110.499 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.68 -112.16 3.33 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.631 -0.988 . . . . 0.3 110.631 178.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.33 139.56 44.12 Favored 'General case' 0 C--O 1.231 0.129 0 N-CA-C 110.151 -0.314 . . . . 2.06 110.151 176.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.546 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.41 123.88 51.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.351 -0.386 . . . . 1.21 110.394 -178.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -76.12 93.51 3.34 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.124 -0.489 . . . . 0.67 109.86 175.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.03 -41.13 91.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.924 -0.58 . . . . 1.26 111.201 -170.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.81 -34.02 87.51 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.51 -2.52 39.07 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.306 0.484 . . . . 0.18 112.306 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.48 -35.67 70.49 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.721 0.296 . . . . 0.17 110.944 -178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.89 82.22 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.258 -0.428 . . . . 0.19 110.923 178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -65.03 -44.57 88.71 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.451 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -63.45 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.279 -0.419 . . . . 1.22 110.963 177.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.464 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.53 -40.22 90.68 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.387 -0.369 . . . . 0.21 110.461 174.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.64 -34.57 78.12 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.004 -0.544 . . . . 1.64 110.995 176.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.7 mtp -61.51 -49.49 76.52 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.658 0.266 . . . . 0.44 110.805 179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.716 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.8 t -65.05 -46.43 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.16 110.791 -176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.428 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.94 -40.42 93.2 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.168 -0.773 . . . . 0.18 111.168 177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.73 -44.21 94.23 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.544 0.211 . . . . 1.21 111.053 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 96.2 p -62.81 -34.56 77.54 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 116.426 -0.352 . . . . 0.24 111.099 -178.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 83.9 t -64.34 -50.65 75.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.568 -0.287 . . . . 0.23 110.39 178.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.52 -46.4 86.21 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.411 -0.359 . . . . 0.27 111.182 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.65 -44.37 78.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.189 -0.46 . . . . 2.28 111.178 -177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.495 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.9 -43.21 88.89 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.427 -0.352 . . . . 0.36 111.409 -173.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.688 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.9 mp -98.5 -8.17 27.13 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.108 0.41 . . . . 0.87 112.108 -175.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.5 51.26 0.35 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.031 0.443 . . . . 1.16 110.517 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.899 179.212 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.451 -0.574 . . . . 33.16 109.451 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . 59.86 104.62 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.265 -0.425 . . . . 32.82 111.07 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -121.54 132.65 54.82 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.237 -0.438 . . . . 32.83 110.503 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.44 -38.85 85.16 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.26 -0.427 . . . . 34.46 110.708 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 78.5 p -130.66 160.15 35.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.24 -0.436 . . . . 31.75 110.634 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.43 -173.04 44.56 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.967 -0.853 . . . . 30.32 110.967 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.29 168.94 37.48 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.958 -0.857 . . . . 29.16 110.958 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.9 -35.86 81.79 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.594 0.235 . . . . 29.37 110.878 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -93.11 108.07 19.74 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.295 -0.411 . . . . 29.22 110.487 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -67.49 -35.63 79.54 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.173 -0.467 . . . . 27.3 110.807 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.95 -33.51 6.45 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.037 -0.825 . . . . 26.28 111.037 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -121.76 151.03 40.99 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.611 0.243 . . . . 27.96 110.448 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -73.03 67.53 1.4 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.987 -0.845 . . . . 25.39 110.987 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 14.9 m 59.19 174.5 0.07 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.755 0.312 . . . . 25.26 111.052 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.4 mmm -113.96 144.95 42.23 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.149 -0.478 . . . . 25.89 110.468 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.13 174.61 13.8 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 110.815 -0.914 . . . . 24.22 110.815 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -147.84 147.77 30.15 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.635 0.255 . . . . 23.68 110.649 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.15 -35.27 77.8 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.205 -0.452 . . . . 22.43 110.768 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -113.22 154.63 26.42 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.328 -0.397 . . . . 21.41 110.584 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.43 75.95 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.249 -0.432 . . . . 20.15 110.913 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 -179.0 0.09 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.432 -0.349 . . . . 19.42 111.02 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -95.04 136.65 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.293 -0.412 . . . . 18.26 110.074 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.8 p -133.22 163.84 28.4 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.114 -0.494 . . . . 17.23 110.562 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.19 144.89 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 CA-C-N 116.297 -0.41 . . . . 16.38 110.311 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.03 -35.83 3.66 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.894 -0.882 . . . . 14.42 110.894 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -175.72 177.95 47.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.999 -0.84 . . . . 12.9 110.999 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -140.34 147.17 39.43 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.69 0.281 . . . . 12.61 110.464 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 155.04 154.22 6.81 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.984 -0.846 . . . . 8.77 110.984 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.22 144.07 91.72 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 121.971 1.781 . . . . 7.53 112.175 178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 59.12 -178.44 0.08 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 116.203 -0.453 . . . . 8.51 111.0 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -114.55 150.79 34.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.331 -0.395 . . . . 5.0 110.489 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 29.8 t -129.72 144.94 51.53 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.171 -0.468 . . . . 3.86 110.512 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -68.22 142.95 55.49 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.608 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.688 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.52 -60.21 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.361 0 CA-C-N 116.159 -0.473 . . . . 0.47 111.142 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.503 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.4 Cg_endo -56.02 -23.74 45.29 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 121.612 1.541 . . . . 0.44 112.608 -176.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.505 HG12 HD22 ' A' ' 95' ' ' LEU . 25.0 t -65.02 -49.03 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.104 -0.332 . . . . 0.32 110.104 176.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.79 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.96 -34.67 78.64 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.731 178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.65 -44.18 97.46 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.773 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.4 -39.59 92.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.223 -0.444 . . . . 0.24 110.571 178.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -37.49 87.5 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.798 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.46 87.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.26 -0.427 . . . . 0.17 110.67 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 41.7 m -62.73 -49.32 75.53 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.293 -0.412 . . . . 1.26 110.998 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -75.66 -22.46 56.73 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 120.872 -0.331 . . . . 2.91 111.408 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.45 HD11 ' CG2' ' A' ' 127' ' ' THR . 11.5 tp -63.19 -32.79 74.28 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 110.41 -0.218 . . . . 0.16 110.41 172.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 58.2 p -78.55 -4.31 48.08 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.324 . . . . 1.35 111.876 179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.5 p -66.13 152.45 93.89 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.275 -0.17 . . . . 0.25 110.659 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.56 -31.68 94.98 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.81 1.673 . . . . 0.58 112.057 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.8 98.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.345 -0.389 . . . . 0.41 110.655 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.588 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.62 81.2 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.848 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -59.04 -40.48 85.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.312 -0.404 . . . . 1.2 111.038 -177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.4 m -62.61 -42.04 99.34 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.218 -0.446 . . . . 1.37 110.698 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.2 mtm-85 -64.81 -32.67 74.48 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.165 -0.471 . . . . 1.87 111.022 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.0 t -60.92 -45.91 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.951 -0.389 . . . . 0.21 109.951 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -59.11 -44.9 92.01 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.22 -0.446 . . . . 1.19 110.644 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.98 -38.06 87.14 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.066 -0.516 . . . . 1.23 110.815 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.74 77.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.789 177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 47.5 t -63.14 -51.9 65.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.253 -0.43 . . . . 0.15 110.26 178.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.85 -39.58 85.67 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.345 -0.388 . . . . 0.95 111.215 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 55.3 m -65.69 -51.8 56.54 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.462 -0.336 . . . . 1.23 110.975 -177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 HD23 ' B' ' 71' ' ' LEU . 46.5 mt -66.71 -40.29 88.39 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.998 -177.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.0 t -65.88 -47.68 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.235 -0.439 . . . . 0.22 110.943 -175.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -71.97 -43.13 65.67 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.516 -0.311 . . . . 1.31 111.1 -174.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . 0.451 ' HB3' ' HB2' ' B' ' 70' ' ' ALA . 21.3 m -74.0 -42.94 59.64 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.447 -0.342 . . . . 0.24 110.925 -177.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 114.28 1.06 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.691 -0.963 . . . . 0.18 110.691 -177.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -41.27 -32.18 1.11 Allowed 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.487 2.125 . . . . 0.3 114.277 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 75.0 p -113.43 29.06 8.29 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 121.129 -0.229 . . . . 0.51 111.609 -175.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' B' ' 70' ' ' ALA . 11.6 t-20 -96.09 121.45 37.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.607 0.241 . . . . 0.56 110.674 -178.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 66.3 tp60 -63.67 -41.12 98.22 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.404 -0.362 . . . . 0.75 110.637 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.37 94.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.362 -0.381 . . . . 0.19 110.742 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 67' ' ' ASN . . . -65.99 -40.33 91.08 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.204 -0.453 . . . . 0.21 110.776 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.494 HD23 HD21 ' B' ' 60' ' ' LEU . 42.7 mt -62.44 -42.13 99.23 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.333 -0.394 . . . . 0.25 110.757 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.0 p -63.08 -41.31 99.4 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.346 -0.388 . . . . 0.18 110.866 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.45 -44.04 95.65 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.225 -0.443 . . . . 0.98 111.137 -178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 22.1 m -65.11 -44.11 89.84 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.29 110.783 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.657 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.5 mt -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.509 -0.314 . . . . 1.01 110.708 -178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.42 -48.2 82.27 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.471 -0.332 . . . . 1.25 110.939 -177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.62 -46.83 83.96 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.084 -0.507 . . . . 1.39 111.069 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.7 t -63.95 -46.32 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-N 116.375 -0.375 . . . . 0.23 110.619 -176.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.657 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.5 t -58.99 -42.35 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 120.637 0.256 . . . . 0.16 110.571 -178.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.52 -54.32 46.95 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.261 -0.427 . . . . 1.08 110.974 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.84 -36.01 81.36 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.026 -0.534 . . . . 0.93 111.568 -174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.33 -34.42 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 C-N-CA 121.089 -0.244 . . . . 0.22 110.398 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.485 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.5 -38.87 90.98 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.654 174.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.23 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.15 -0.477 . . . . 0.29 111.081 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.24 -36.38 66.41 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.283 -0.417 . . . . 0.27 110.516 177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.613 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.42 70.32 1.49 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.894 -174.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.11 -32.61 4.08 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.647 1.565 . . . . 0.19 111.984 170.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.44 -30.0 76.53 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.556 -0.617 . . . . 0.18 111.556 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.1 mt -79.98 151.21 30.15 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.733 0.302 . . . . 0.21 110.865 -177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.6 m -68.02 163.76 21.58 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.031 -0.532 . . . . 0.19 110.777 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.05 -38.85 93.57 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.1 t -65.52 -36.88 85.14 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 121.091 -0.244 . . . . 0.11 110.666 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -61.79 -36.99 82.7 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.483 -0.326 . . . . 0.15 110.745 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.5 t -62.53 -44.4 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.29 -0.413 . . . . 0.15 110.312 178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.679 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.0 tp -63.1 -40.78 98.64 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.18 110.716 -179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.5 t -60.38 -45.07 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.396 -0.365 . . . . 0.13 110.071 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.567 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -64.12 -43.7 94.49 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.965 -0.562 . . . . 1.11 111.26 -173.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -66.13 -41.87 89.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.24 -0.436 . . . . 0.1 110.878 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.9 mt -66.86 -52.01 48.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.527 -0.306 . . . . 0.23 111.519 -173.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.59 -29.85 67.47 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 120.36 -0.536 . . . . 0.48 110.979 -176.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -64.35 -32.42 74.02 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 121.0 -0.28 . . . . 1.1 110.696 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -67.61 -35.96 74.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.821 -0.437 . . . . 0.13 109.821 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.523 HG22 HG22 ' A' ' 103' ' ' VAL . 28.6 t -60.91 -44.38 97.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.257 -0.429 . . . . 0.09 109.882 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.716 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.76 -41.69 95.71 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.19 -0.459 . . . . 0.27 111.369 -177.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.76 -39.83 86.13 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.865 0.364 . . . . 0.15 110.358 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.575 HD13 ' HB2' ' A' ' 106' ' ' LEU . 35.5 mt -66.65 -35.35 79.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.875 -0.602 . . . . 0.11 111.121 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.445 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.8 t -60.43 -42.2 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 110.149 -0.315 . . . . 0.12 110.149 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.3 m -60.73 -43.29 98.06 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.147 -0.479 . . . . 0.14 110.852 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.1 mt -64.95 -42.99 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.145 -0.479 . . . . 0.16 110.518 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 106' ' ' LEU . 58.4 mt -62.45 -47.87 82.12 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.433 -0.349 . . . . 0.16 111.368 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . . . . . . . . . . . -67.95 -39.84 89.16 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.247 -0.741 . . . . 0.23 111.247 -176.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 84.5 p -72.61 -25.33 61.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.236 -0.185 . . . . 0.28 111.265 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 87.7 p -93.68 166.74 12.07 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.798 0.332 . . . . 0.14 110.751 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 26.9 m -95.34 134.03 38.59 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.974 -0.557 . . . . 0.09 110.437 -177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -95.83 118.38 41.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.458 -0.337 . . . . 0.13 110.434 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.7 -112.15 3.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.636 -0.986 . . . . 0.3 110.636 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -109.3 139.48 44.19 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 110.223 -0.288 . . . . 2.06 110.223 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.529 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.29 123.88 51.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 CA-C-N 116.454 -0.339 . . . . 1.21 110.407 -178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -76.14 93.48 3.35 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.847 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.88 -41.23 91.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.921 -0.581 . . . . 1.26 111.269 -170.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.08 87.76 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.56 -0.616 . . . . 0.21 111.56 -176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.6 -2.58 39.65 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.258 0.466 . . . . 0.18 112.258 -176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.14 -35.66 69.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.744 0.307 . . . . 0.17 111.091 -178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.67 -36.07 82.58 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.15 -0.477 . . . . 0.19 110.763 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -64.77 -44.38 90.22 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.444 -0.344 . . . . 1.12 110.569 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -64.0 -31.33 72.48 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.231 -0.44 . . . . 1.22 110.794 177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.452 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.4 m -61.03 -39.79 91.11 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.439 -0.346 . . . . 0.21 110.361 174.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.04 -34.57 78.32 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.064 -0.516 . . . . 1.64 110.866 176.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . 0.407 ' HE2' ' HB3' ' B' ' 129' ' ' MET . 66.7 mtp -61.44 -49.36 77.16 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.632 -0.258 . . . . 0.44 110.906 178.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.74 HG21 ' HA ' ' A' ' 104' ' ' SER . 63.0 t -65.15 -46.62 90.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.42 -0.355 . . . . 0.16 110.692 -176.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.435 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.83 -40.32 92.82 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 111.261 -0.736 . . . . 0.18 111.261 177.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.69 -44.17 94.46 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.603 0.24 . . . . 1.21 110.992 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 99.7 p -62.98 -34.54 77.74 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.311 -0.404 . . . . 0.24 111.014 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.765 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.0 t -64.31 -50.71 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.436 -0.347 . . . . 0.24 110.374 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.58 -46.12 87.34 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.366 -0.379 . . . . 0.27 111.156 -175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -68.07 -43.99 77.33 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.246 -0.434 . . . . 2.28 111.208 -176.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.498 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.01 -43.5 87.49 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.258 -173.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.704 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.9 mp -98.1 -8.71 27.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.036 0.384 . . . . 0.87 112.036 -175.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.03 0.38 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.1 0.476 . . . . 1.16 110.555 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.747 0 CA-C-O 118.018 -1.434 . . . . 2.35 110.979 179.026 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.8 ttm . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.325 -0.62 . . . . 36.65 109.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.21 122.1 26.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.248 -0.433 . . . . 37.14 110.56 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.7 p -67.28 -32.98 74.35 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.215 -0.448 . . . . 36.26 111.004 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -91.95 165.37 13.25 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-N 116.376 -0.374 . . . . 36.12 110.651 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.3 p 50.22 31.94 5.62 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.169 -0.469 . . . . 35.35 111.575 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.87 -36.19 4.04 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.9 -0.88 . . . . 34.84 110.9 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.64 -172.93 26.39 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.37 110.88 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -90.28 127.82 36.26 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.671 0.272 . . . . 34.86 110.607 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -126.99 154.12 45.01 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.15 -0.477 . . . . 33.57 110.496 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.3 mtm -104.73 141.19 36.9 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.229 -0.442 . . . . 32.05 110.562 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -179.61 50.17 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.997 -0.841 . . . . 30.8 110.997 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -155.67 165.82 35.4 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.575 0.226 . . . . 30.94 110.651 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 141.87 59.87 0.03 OUTLIER Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.976 -0.85 . . . . 29.08 110.976 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -71.67 162.17 29.85 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.707 0.289 . . . . 27.99 110.488 179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 12.9 ttp -93.23 134.74 35.12 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.185 -0.461 . . . . 27.87 110.538 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.0 -169.04 31.9 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.936 -0.866 . . . . 26.05 110.936 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.11 157.85 45.49 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.667 0.27 . . . . 24.72 110.484 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.18 87.61 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.184 -0.462 . . . . 23.32 110.781 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 83.5 p -159.5 118.33 2.86 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.602 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -171.08 -54.19 0.02 OUTLIER 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.216 -0.447 . . . . 21.23 110.608 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.49 178.89 7.79 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.163 -0.471 . . . . 19.47 110.556 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -98.75 138.56 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-N 116.241 -0.436 . . . . 17.85 110.083 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.3 t -101.65 150.51 23.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.176 -0.466 . . . . 14.96 110.642 -178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.34 139.79 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.164 -0.471 . . . . 14.71 110.305 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.41 -170.78 31.58 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.914 -0.874 . . . . 11.62 110.914 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.08 63.82 2.45 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.916 -0.874 . . . . 9.69 110.916 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -100.13 30.28 3.87 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 120.714 0.293 . . . . 14.31 110.99 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 78.84 1.42 Allowed Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.02 -0.832 . . . . 7.32 111.02 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.04 156.59 64.77 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 121.786 1.658 . . . . 5.74 112.004 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 60.27 48.31 8.22 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.123 0.487 . . . . 8.09 110.931 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -68.45 151.21 47.15 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.89 -0.595 . . . . 3.07 110.678 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.3 t -123.35 47.66 1.97 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.099 0.476 . . . . 2.27 110.395 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.7 t -80.43 -39.46 28.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.909 -0.587 . . . . 0.79 110.844 -179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.668 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.01 -59.07 8.14 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 116.279 -0.419 . . . . 0.47 111.548 -177.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.414 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 29.1 Cg_endo -59.54 -22.78 68.17 Favored 'Trans proline' 0 N--CA 1.499 1.804 0 C-N-CA 121.306 1.337 . . . . 0.44 112.645 -166.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.466 HG12 HD22 ' B' ' 95' ' ' LEU . 40.6 t -65.78 -49.59 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.015 -0.365 . . . . 0.31 110.015 177.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.769 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.72 -34.74 78.88 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.262 -0.426 . . . . 0.24 110.745 178.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -61.71 -44.29 97.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.427 -0.352 . . . . 1.14 110.74 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.3 89.83 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.117 -0.492 . . . . 0.24 110.688 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.4 -39.17 93.79 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.287 -0.415 . . . . 0.18 111.017 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.76 -36.97 81.47 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.343 -0.389 . . . . 0.17 110.822 178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.27 -50.21 71.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.425 -0.352 . . . . 1.26 110.885 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.27 -22.89 57.46 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.412 -0.358 . . . . 2.91 111.423 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.5 tp -61.0 -32.32 71.9 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 167.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -75.97 -14.36 60.24 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.499 -0.319 . . . . 1.35 111.815 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.2 p -64.31 152.15 89.26 Favored Pre-proline 0 CA--C 1.533 0.311 0 C-N-CA 121.214 -0.194 . . . . 0.25 111.049 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.28 -32.24 80.12 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.97 1.78 . . . . 0.57 112.279 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.41 98.86 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.262 -0.426 . . . . 0.41 110.627 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.13 -45.14 82.11 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.134 -0.485 . . . . 0.29 110.755 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.65 -41.39 90.43 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 120.901 0.382 . . . . 1.2 111.107 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.03 -42.01 99.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.098 -0.501 . . . . 1.37 110.836 -179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.661 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.2 mtm-85 -64.59 -34.59 78.62 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.297 -0.41 . . . . 1.87 111.152 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.7 t -61.17 -46.27 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 109.963 -0.384 . . . . 0.21 109.963 177.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.46 -45.88 87.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.023 0.44 . . . . 1.19 110.772 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.9 m -61.56 -36.88 81.86 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.829 -0.623 . . . . 1.23 110.659 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.73 -33.65 75.57 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.178 -0.464 . . . . 0.18 110.83 176.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.629 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.3 t -63.61 -53.92 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.469 -0.332 . . . . 0.15 110.18 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.39 -39.18 82.55 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.352 -0.385 . . . . 0.95 111.108 -177.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.5 m -64.95 -50.29 66.98 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.418 -0.356 . . . . 1.23 110.936 -177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.2 -39.72 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.458 -0.337 . . . . 0.21 110.971 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.1 t -65.3 -48.04 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.25 -0.432 . . . . 0.22 110.974 -175.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.5 p -74.8 -43.12 56.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.557 -0.292 . . . . 1.31 111.241 -174.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.1 m -75.84 -37.82 58.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.554 -0.294 . . . . 0.24 110.999 -177.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.75 107.04 0.63 Allowed Glycine 0 CA--C 1.532 1.1 0 N-CA-C 110.634 -0.986 . . . . 0.18 110.634 -177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -41.03 -32.42 0.95 Allowed 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 122.584 2.19 . . . . 0.3 114.31 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.767 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.7 p -128.8 33.33 4.65 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.706 0.288 . . . . 0.51 111.463 -174.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.459 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 56.7 t30 -94.18 140.39 29.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.532 -0.304 . . . . 0.56 110.671 178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -63.03 -44.49 95.77 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.732 0.301 . . . . 0.75 110.658 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.38 -37.89 86.3 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.201 -0.454 . . . . 0.19 110.825 -178.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.1 -44.3 80.33 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.225 -0.443 . . . . 0.21 110.92 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.2 mt -63.17 -40.0 96.28 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.419 -0.355 . . . . 0.25 110.808 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.74 -41.99 99.46 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.924 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.9 -46.34 85.31 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.318 -0.401 . . . . 0.98 111.241 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.02 -46.4 81.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.345 -0.389 . . . . 0.29 110.835 -177.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 79' ' ' VAL . 54.8 mt -63.17 -45.0 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-N 116.45 -0.341 . . . . 1.01 110.7 -177.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.82 -50.63 72.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.859 0.362 . . . . 1.25 110.842 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.1 t -62.7 -45.91 90.59 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.921 -0.581 . . . . 1.39 111.135 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.5 t -64.14 -46.66 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.322 -0.399 . . . . 0.23 110.681 -176.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 75' ' ' ILE . 91.0 t -59.06 -42.26 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 120.666 0.27 . . . . 0.16 110.448 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.52 -53.3 59.14 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.929 0.395 . . . . 1.08 111.076 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.38 -35.61 79.67 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.981 -0.554 . . . . 0.93 111.379 -174.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -63.08 -35.42 71.62 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 110.408 -0.219 . . . . 0.22 110.408 177.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.34 -38.91 92.69 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.282 -0.417 . . . . 1.19 110.715 174.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.63 98.46 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.132 -0.485 . . . . 0.29 111.33 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.36 -36.35 66.09 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.27 110.533 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.536 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.36 71.81 1.18 Allowed Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 116.219 -0.446 . . . . 0.23 111.002 -174.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.49 -32.34 2.26 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 121.705 1.603 . . . . 0.19 111.936 168.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.69 -30.36 77.73 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.518 -0.633 . . . . 0.18 111.518 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 86' ' ' ASN . 82.9 mt -80.27 153.42 28.49 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.696 0.284 . . . . 0.21 110.726 -177.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.36 163.49 22.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.079 -0.51 . . . . 0.19 110.755 -177.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.18 -37.61 87.09 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.382 -0.687 . . . . 0.14 111.382 -178.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.522 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.8 t -64.65 -43.22 94.33 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.584 179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -57.6 -36.82 72.26 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.524 -0.307 . . . . 0.15 111.094 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.5 t -61.57 -44.43 98.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.251 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.717 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -64.04 -39.77 94.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.057 -0.52 . . . . 0.18 110.969 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 92' ' ' CYS . 29.6 t -59.7 -46.7 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.844 0.354 . . . . 0.13 110.177 178.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.532 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.24 96.61 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.77 -0.65 . . . . 1.11 111.343 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.07 -42.74 93.86 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.365 -0.38 . . . . 0.1 110.99 -179.045 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' B' ' 100' ' ' LEU . 88.3 mt -67.37 -50.59 59.13 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 120.985 -0.286 . . . . 0.23 111.667 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.93 -29.08 63.93 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.179 -0.608 . . . . 0.48 110.602 -175.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG2' HD12 ' A' ' 44' ' ' LEU . 54.6 mt-10 -64.86 -32.54 74.29 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.668 0.27 . . . . 1.1 110.635 174.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.2 t -66.69 -36.36 77.06 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.947 -0.39 . . . . 0.13 109.947 173.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' B' ' 103' ' ' VAL . 25.3 t -60.2 -45.32 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.951 177.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.729 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -64.2 -39.67 94.47 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.152 -0.476 . . . . 0.27 111.379 -177.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.61 97.93 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.15 110.435 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.7 mt -65.34 -35.55 81.31 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 115.895 -0.593 . . . . 0.11 111.161 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 103' ' ' VAL . 86.9 t -60.84 -42.37 92.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 110.193 -0.299 . . . . 0.12 110.193 176.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 7.4 m -60.29 -42.25 95.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.198 -0.455 . . . . 0.14 110.843 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.3 mt -64.04 -43.19 97.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.092 -0.504 . . . . 0.16 110.408 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 81.5 mt -63.19 -44.94 93.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.544 -0.298 . . . . 0.16 111.39 -177.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.783 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -65.8 -39.32 95.09 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.352 -0.699 . . . . 0.23 111.352 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.0 p -80.59 -22.86 40.29 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.573 0.212 . . . . 0.28 111.573 178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.5 p -94.45 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.14 110.797 -177.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -98.43 136.7 38.19 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.872 -0.604 . . . . 0.09 110.495 -177.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.18 118.79 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.327 -0.397 . . . . 0.13 110.495 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.0 -121.43 4.53 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.623 -0.991 . . . . 0.3 110.623 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -100.3 135.61 41.47 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.192 -0.299 . . . . 2.06 110.192 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -96.84 120.52 46.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 116.4 -0.364 . . . . 1.21 110.389 -177.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.71 96.24 3.58 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.16 -0.473 . . . . 0.67 109.839 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.9 -40.68 91.76 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.893 -0.594 . . . . 1.26 111.211 -170.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.88 -35.11 90.38 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.608 -0.597 . . . . 0.21 111.608 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.52 -7.16 53.45 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.217 0.451 . . . . 0.18 112.217 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.88 -35.1 68.55 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.745 0.307 . . . . 0.17 110.984 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.95 -36.58 84.84 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.169 -0.468 . . . . 0.19 110.846 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -65.09 -43.65 91.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.314 -0.403 . . . . 1.12 110.529 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -63.75 -31.82 73.12 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.307 -0.406 . . . . 1.22 111.069 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.85 -39.84 90.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.382 -0.372 . . . . 0.21 110.387 173.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -63.7 -34.27 77.5 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.981 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 72.2 mtp -61.48 -47.55 85.15 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.636 0.255 . . . . 0.44 110.818 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.721 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -65.82 -47.52 85.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.669 -177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.424 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.0 -38.51 85.8 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.115 -0.794 . . . . 0.18 111.115 177.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.44 -43.81 96.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.649 0.261 . . . . 1.21 110.983 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 82.0 p -62.84 -35.34 79.63 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.299 -0.409 . . . . 0.24 111.167 -178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.795 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.4 t -65.06 -50.98 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.478 -0.328 . . . . 0.23 110.494 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.81 -47.21 84.42 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.408 -0.36 . . . . 0.27 111.104 -176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -68.12 -41.83 81.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 2.28 111.158 -177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.461 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.6 -43.14 90.59 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.318 -173.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.689 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.1 mp -97.8 -8.2 28.93 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.059 0.392 . . . . 0.87 112.059 -176.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.62 51.78 0.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.021 0.439 . . . . 1.16 110.551 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.824 0 CA-C-O 118.042 -1.421 . . . . 2.62 110.977 179.62 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 86.7 mtp . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.362 -0.607 . . . . 33.16 109.362 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.82 155.44 42.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.226 -0.443 . . . . 32.82 110.587 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.3 p -65.62 -30.09 70.75 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.143 -0.48 . . . . 32.83 111.194 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.0 mtp -61.32 -33.49 73.68 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.492 -0.322 . . . . 34.46 111.12 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -63.08 -37.24 86.4 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.386 -0.37 . . . . 31.75 110.757 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.23 122.11 2.08 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.018 -0.833 . . . . 30.32 111.018 178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.25 106.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.786 0 N-CA-C 111.082 -0.807 . . . . 29.16 111.082 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -65.55 -36.02 82.58 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.67 0.271 . . . . 29.37 110.754 179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -120.55 158.32 27.58 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.255 -0.43 . . . . 29.22 110.544 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -82.3 139.65 34.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.206 -0.452 . . . . 27.3 110.587 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -90.37 -69.86 1.21 Allowed Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.971 -0.852 . . . . 26.28 110.971 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -119.66 143.42 47.72 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.622 0.249 . . . . 27.96 110.522 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.9 -38.21 94.03 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.082 -0.807 . . . . 25.39 111.082 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -147.1 159.82 43.15 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.67 0.271 . . . . 25.26 110.565 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 86.7 mtp -134.79 165.33 25.52 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.12 -0.491 . . . . 25.89 110.529 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.86 68.28 1.46 Allowed Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.981 -0.847 . . . . 24.22 110.981 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.6 84.62 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.645 0.26 . . . . 23.68 110.738 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.38 144.78 49.73 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.233 -0.44 . . . . 22.43 110.451 178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.6 p -134.98 155.24 51.11 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.349 -0.387 . . . . 21.41 110.542 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -150.36 152.27 34.14 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.078 -0.51 . . . . 20.15 110.506 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.33 129.81 43.58 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.252 -0.431 . . . . 19.42 110.566 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.415 HG12 ' O ' ' B' ' 24' ' ' VAL . 21.3 t -126.85 133.41 68.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.238 -0.437 . . . . 18.26 110.025 179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -66.51 -43.91 83.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.257 -0.429 . . . . 17.23 110.908 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.415 ' O ' HG12 ' B' ' 22' ' ' VAL . 29.9 m -136.98 160.47 36.55 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.302 -0.408 . . . . 16.38 110.729 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.27 -175.49 14.07 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.896 -0.882 . . . . 14.42 110.896 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.61 4.57 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.962 -0.855 . . . . 12.9 110.962 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -65.15 -36.45 84.29 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.599 0.238 . . . . 12.61 110.841 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -69.96 165.67 50.63 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.24 135.84 52.59 Favored 'Trans proline' 0 N--CA 1.498 1.738 0 C-N-CA 121.708 1.605 . . . . 7.53 111.869 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -66.01 -38.94 89.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.146 -0.479 . . . . 8.51 110.735 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -70.86 148.92 47.32 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.203 -0.453 . . . . 5.0 110.635 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 t -147.3 135.27 21.33 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.187 -0.46 . . . . 3.86 110.519 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 39.9 t -168.72 -44.69 0.02 OUTLIER 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.257 -0.429 . . . . 1.67 110.935 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.689 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -62.05 -59.2 13.82 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.364 -0.38 . . . . 0.47 111.611 -176.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.424 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 28.6 Cg_endo -59.23 -23.21 68.58 Favored 'Trans proline' 0 N--CA 1.499 1.808 0 C-N-CA 121.379 1.386 . . . . 0.44 112.584 -166.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.492 HG12 HD22 ' A' ' 95' ' ' LEU . 40.1 t -65.52 -49.47 77.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 110.145 -0.317 . . . . 0.32 110.145 177.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.795 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -34.64 78.57 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.597 178.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.84 -44.12 97.49 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.749 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.41 -38.07 88.84 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.648 179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.93 92.94 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.284 -0.417 . . . . 0.18 110.885 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.03 -36.95 80.77 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.289 -0.414 . . . . 0.17 110.706 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -50.02 71.66 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.469 -0.332 . . . . 1.26 110.926 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -75.76 -22.15 56.77 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.509 -0.314 . . . . 2.91 111.429 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.8 tp -61.32 -32.68 72.55 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.145 -0.317 . . . . 0.16 110.145 167.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.56 -14.57 60.4 Favored 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 111.9 0.333 . . . . 1.35 111.9 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.3 p -64.32 152.43 88.66 Favored Pre-proline 0 CA--C 1.534 0.35 0 C-N-CA 121.137 -0.225 . . . . 0.25 110.963 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -55.49 -32.18 81.36 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 121.883 1.722 . . . . 0.58 112.324 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.48 99.06 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.289 -0.414 . . . . 0.41 110.727 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -44.91 82.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.083 -0.508 . . . . 0.29 110.846 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.3 p -59.88 -41.26 91.15 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.415 -0.357 . . . . 1.2 111.044 -177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.0 m -63.16 -41.82 99.31 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.146 -0.479 . . . . 1.37 110.805 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.7 mtm-85 -64.85 -34.47 78.45 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.283 -0.417 . . . . 1.87 111.002 179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 51.3 t -61.41 -46.11 97.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.967 -0.383 . . . . 0.21 109.967 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.4 m -58.52 -46.0 87.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.26 -0.427 . . . . 1.19 110.708 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.51 -36.66 81.14 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.017 -0.538 . . . . 1.23 110.64 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.97 -33.57 75.68 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.841 176.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.641 ' O ' HG23 ' B' ' 61' ' ' VAL . 28.4 t -63.47 -53.96 38.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 116.436 -0.347 . . . . 0.15 110.252 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.5 t -59.44 -39.19 82.78 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.342 -0.39 . . . . 0.95 111.135 -177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.4 m -64.82 -50.4 66.85 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.386 -0.37 . . . . 1.23 110.974 -177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 75.3 mt -67.13 -39.74 86.65 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.21 110.969 -177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 57' ' ' VAL . 98.3 t -65.32 -48.09 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.89 -175.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.79 -43.11 56.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.583 -0.28 . . . . 1.31 111.202 -174.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.0 m -75.9 -37.77 58.45 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.51 -0.314 . . . . 0.24 110.911 -177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.65 106.86 0.63 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 110.653 -0.979 . . . . 0.18 110.653 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.76 -32.51 0.87 Allowed 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.564 2.176 . . . . 0.3 114.316 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.783 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.9 p -128.91 33.57 4.59 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 120.701 0.286 . . . . 0.51 111.494 -174.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 56.9 t30 -94.51 140.43 29.85 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.405 -0.361 . . . . 0.56 110.598 178.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -63.0 -44.53 95.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.473 -0.33 . . . . 0.75 110.617 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.458 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.27 -38.07 86.94 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.151 -0.477 . . . . 0.19 110.787 -178.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.9 -44.33 81.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.223 -0.444 . . . . 0.21 110.847 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.35 -39.69 95.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.379 -0.373 . . . . 0.25 110.837 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.2 p -63.14 -41.62 99.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.376 -0.374 . . . . 0.18 110.858 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.15 -46.46 83.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.268 -0.424 . . . . 0.98 111.006 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.663 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.09 -46.35 81.45 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.769 -177.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.664 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.4 mt -63.2 -44.91 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.504 -0.316 . . . . 1.01 110.715 -177.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.86 -50.64 72.59 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.772 0.32 . . . . 1.25 110.876 -178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -62.82 -45.76 91.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.002 -0.545 . . . . 1.39 111.145 -177.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.6 t -64.11 -46.8 92.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.386 -0.37 . . . . 0.23 110.663 -176.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.664 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.9 t -58.94 -42.12 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.655 -0.248 . . . . 0.16 110.555 -177.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.6 m -60.72 -53.21 60.14 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.289 -0.414 . . . . 1.08 111.093 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.38 -35.53 79.51 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.11 -0.496 . . . . 0.93 111.4 -174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.16 -35.09 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.355 -0.239 . . . . 0.22 110.355 177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.2 m -64.87 -38.47 91.07 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.324 -0.398 . . . . 1.19 110.616 174.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.9 99.27 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.091 -0.504 . . . . 0.29 111.122 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.0 -35.83 66.9 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.34 -0.391 . . . . 0.27 110.632 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.566 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.0 71.64 1.36 Allowed Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.21 -0.45 . . . . 0.23 110.863 -173.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.55 -32.31 2.23 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 121.671 1.581 . . . . 0.19 111.938 168.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.64 -30.66 78.53 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.566 HD12 ' HB3' ' B' ' 86' ' ' ASN . 83.3 mt -79.98 153.18 29.06 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.715 0.293 . . . . 0.21 110.815 -178.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.15 163.33 22.85 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.12 -0.491 . . . . 0.19 110.78 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.03 -37.71 86.6 Favored Glycine 0 CA--C 1.528 0.873 0 N-CA-C 111.413 -0.675 . . . . 0.14 111.413 -178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.525 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.8 t -64.59 -43.24 94.47 Favored 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 121.029 -0.268 . . . . 0.11 110.645 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -57.66 -36.67 72.18 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 116.47 -0.332 . . . . 0.15 111.075 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 31.5 t -61.65 -44.27 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.361 -0.381 . . . . 0.15 110.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -64.32 -39.72 94.47 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.082 -0.508 . . . . 0.18 110.894 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.525 HG23 ' O ' ' B' ' 92' ' ' CYS . 28.7 t -59.63 -46.72 92.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 120.82 0.343 . . . . 0.13 110.153 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.516 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.6 tp60 -63.89 -43.19 96.74 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.189 -173.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.29 -42.72 92.85 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.344 -0.389 . . . . 0.1 110.939 -178.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.8 mt -66.76 -52.13 47.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.467 -0.333 . . . . 0.23 111.531 -173.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.513 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -70.68 -29.19 65.44 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.378 -0.529 . . . . 0.48 110.962 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.41 ' HG2' HD12 ' B' ' 44' ' ' LEU . 54.4 mt-10 -65.09 -32.25 73.87 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 120.924 -0.31 . . . . 1.1 110.548 175.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.9 t -67.1 -35.97 75.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 109.822 -0.436 . . . . 0.13 109.822 173.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.526 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.7 -45.1 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 109.833 -0.432 . . . . 0.09 109.833 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.721 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -64.4 -39.52 94.01 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.158 -0.473 . . . . 0.27 111.294 -177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.25 97.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.847 0.356 . . . . 0.15 110.47 177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 40.3 mt -65.82 -35.41 80.6 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.946 -0.57 . . . . 0.11 110.964 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.493 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.7 t -60.93 -42.1 91.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.183 -0.303 . . . . 0.12 110.183 176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.5 m -60.65 -42.02 96.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.194 -0.457 . . . . 0.14 110.758 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.9 mt -64.25 -42.87 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.188 -0.46 . . . . 0.16 110.401 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.422 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.9 mt -63.5 -44.89 93.04 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.16 111.306 -177.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.767 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.6 -39.68 95.6 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.253 -0.739 . . . . 0.23 111.253 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -80.39 -23.32 40.51 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 111.439 0.163 . . . . 0.28 111.439 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.422 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 95.1 p -93.66 166.81 12.04 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.897 0.379 . . . . 0.14 110.882 -177.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 48.7 m -98.86 136.73 38.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.917 -0.583 . . . . 0.09 110.432 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.32 118.77 44.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.403 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.91 -121.34 4.49 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.642 -0.983 . . . . 0.3 110.642 178.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -100.51 135.59 41.71 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 110.093 -0.336 . . . . 2.06 110.093 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.511 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -96.75 120.48 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.321 -0.399 . . . . 1.21 110.449 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -75.68 96.22 3.55 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.142 -0.481 . . . . 0.67 109.825 175.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.75 -40.76 92.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.929 -0.578 . . . . 1.26 111.295 -170.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.13 90.33 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.495 -0.642 . . . . 0.21 111.495 -176.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.57 -7.24 53.71 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.114 0.413 . . . . 0.18 112.114 -176.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -56.84 -34.83 68.16 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.655 0.264 . . . . 0.17 111.025 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -36.61 84.67 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.222 -0.445 . . . . 0.19 110.797 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -64.96 -43.4 92.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.305 -0.407 . . . . 1.12 110.597 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 93.1 m-85 -64.42 -31.3 72.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.308 -0.406 . . . . 1.22 110.805 177.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.557 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.3 m -61.19 -39.56 90.63 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.465 -0.334 . . . . 0.21 110.329 173.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -64.14 -34.05 77.17 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 116.014 -0.539 . . . . 1.64 110.871 176.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 72.3 mtp -61.6 -47.35 85.86 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.618 -0.264 . . . . 0.44 110.85 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.729 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.97 -47.65 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.417 -0.356 . . . . 0.16 110.618 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.81 -38.55 84.12 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -63.49 -43.46 97.2 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.647 0.261 . . . . 1.21 110.978 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 82.9 p -63.21 -35.34 79.99 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.3 -0.409 . . . . 0.24 111.018 -177.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.769 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -65.12 -50.93 71.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.441 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.87 -46.96 85.42 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.432 -0.349 . . . . 0.27 111.088 -176.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -68.4 -41.67 80.12 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.258 -0.428 . . . . 2.28 111.083 -177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.455 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.6 -43.32 90.0 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.333 -173.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.668 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.1 mp -97.38 -8.89 28.46 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.044 0.387 . . . . 0.87 112.044 -176.195 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -159.21 52.7 0.38 Allowed 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.106 0.479 . . . . 1.16 110.57 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 CA-C-O 118.027 -1.429 . . . . 2.35 110.938 178.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.377 -0.601 . . . . 36.65 109.377 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.67 152.96 39.72 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.187 -0.46 . . . . 37.14 110.554 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -121.46 147.22 46.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.211 -0.45 . . . . 36.26 110.514 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.7 mtt -90.79 117.0 29.07 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.236 -0.438 . . . . 36.12 110.558 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.53 -38.3 84.0 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.274 -0.421 . . . . 35.35 110.519 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.86 75.17 0.19 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.884 -0.887 . . . . 34.84 110.884 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.82 -177.56 52.01 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.884 -0.886 . . . . 34.37 110.884 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.22 -38.45 90.45 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.692 0.282 . . . . 34.86 110.781 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -142.8 159.31 42.47 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.18 -0.464 . . . . 33.57 110.584 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.1 mtm -65.3 -35.95 82.58 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.216 -0.447 . . . . 32.05 110.706 178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -159.85 171.53 36.22 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.79 -0.924 . . . . 30.8 110.79 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -155.26 156.73 36.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.658 0.266 . . . . 30.94 110.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.17 34.92 76.46 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.054 -0.818 . . . . 29.08 111.054 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.2 p -82.39 153.67 25.6 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.659 0.266 . . . . 27.99 110.604 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 63.5 mtt -141.49 133.92 28.23 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.178 -0.465 . . . . 27.87 110.428 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.21 -134.29 33.87 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.088 -0.805 . . . . 26.05 111.088 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -107.04 147.56 29.8 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.603 0.24 . . . . 24.72 110.475 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.92 123.62 26.01 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.197 -0.456 . . . . 23.32 110.522 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -145.34 160.46 41.5 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.177 -0.465 . . . . 22.02 110.594 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.15 158.65 32.68 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.133 -0.485 . . . . 21.23 110.57 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 68.1 1.03 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.12 0.486 . . . . 19.47 110.549 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -140.43 134.8 35.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 CA-C-N 115.956 -0.566 . . . . 17.85 110.02 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.2 p -136.65 146.93 46.54 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.319 -0.401 . . . . 14.96 110.64 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -135.65 132.94 51.67 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.139 -0.482 . . . . 14.71 110.07 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.45 -157.49 44.33 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.844 -0.903 . . . . 11.62 110.844 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -90.73 -73.2 1.26 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.964 -0.855 . . . . 9.69 110.964 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -130.44 47.53 2.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.016 0.436 . . . . 14.31 110.446 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.1 145.4 49.66 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 111.002 -0.839 . . . . 7.32 111.002 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.52 145.09 69.43 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 C-N-CA 121.613 1.542 . . . . 5.74 112.07 -173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -113.69 45.79 1.39 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.116 0.484 . . . . 8.09 110.454 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.1 t -121.9 141.65 51.06 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.887 -0.597 . . . . 3.07 110.491 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.3 m -152.25 48.81 0.77 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.231 -0.44 . . . . 2.27 110.544 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.0 t -72.48 -34.92 68.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.051 -0.522 . . . . 0.79 111.044 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.16 -59.4 12.38 Favored Pre-proline 0 CA--C 1.535 0.367 0 CA-C-N 116.42 -0.354 . . . . 0.47 111.643 -176.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 18.6 Cg_endo -58.6 -24.23 69.17 Favored 'Trans proline' 0 N--CA 1.5 1.884 0 C-N-CA 121.358 1.372 . . . . 0.44 112.69 -169.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.672 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t -65.73 -48.3 82.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 110.011 -0.366 . . . . 0.31 110.011 176.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.692 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -67.1 -37.84 84.64 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.242 -0.435 . . . . 0.24 110.99 179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.7 p -63.28 -40.4 97.27 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.747 0.308 . . . . 1.14 110.835 -177.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -42.51 90.65 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.22 -0.445 . . . . 0.24 110.562 177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.04 -35.89 81.74 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.935 178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.64 -38.74 84.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.15 -0.477 . . . . 0.17 110.718 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 49.6 m -63.37 -49.88 72.1 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.354 -0.385 . . . . 1.26 110.924 -177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.16 -22.96 57.73 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.406 -0.361 . . . . 2.91 111.285 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 17.2 tp -62.22 -32.39 73.05 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.641 -0.254 . . . . 0.16 110.388 168.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.8 m -76.83 -16.61 59.38 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 111.834 0.309 . . . . 1.35 111.834 179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -62.76 152.2 82.76 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 120.485 0.183 . . . . 0.25 110.977 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.77 -29.91 87.41 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.82 1.68 . . . . 0.57 112.162 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.37 -40.91 98.54 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.329 -0.396 . . . . 0.41 110.582 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.617 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.44 -44.15 83.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.138 -0.483 . . . . 0.29 110.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.6 m -59.23 -41.53 88.92 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.356 -0.384 . . . . 1.2 111.116 -178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.54 -41.58 98.98 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.119 -0.491 . . . . 1.37 110.769 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' A' ' 82' ' ' VAL . 80.9 mtm-85 -63.61 -34.69 78.39 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 116.23 -0.441 . . . . 1.87 110.903 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 49' ' ' ALA . 48.6 t -61.2 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 109.992 -0.373 . . . . 0.21 109.992 177.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.56 -44.27 89.66 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.215 -0.448 . . . . 1.19 110.755 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.61 -37.47 84.07 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.871 -0.604 . . . . 1.23 110.66 178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.87 76.36 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.183 -0.462 . . . . 0.18 110.92 176.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.48 -52.46 57.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.202 179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 t -60.87 -39.08 87.83 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.296 -0.411 . . . . 0.95 111.11 -177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.7 t -64.88 -51.3 62.71 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.376 . . . . 1.23 110.996 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.4 mt -66.46 -40.29 89.32 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.441 -0.345 . . . . 0.21 110.994 -177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.1 t -65.84 -47.17 86.55 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.249 -0.432 . . . . 0.22 110.963 -176.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.0 -43.15 62.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.627 -0.261 . . . . 1.31 111.118 -174.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -74.55 -38.56 62.71 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.929 -177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.88 110.44 0.88 Allowed Glycine 0 CA--C 1.532 1.111 0 N-CA-C 110.547 -1.021 . . . . 0.18 110.547 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -41.02 -32.67 0.99 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.529 2.153 . . . . 0.3 114.343 179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.73 HG21 ' CA ' ' B' ' 111' ' ' GLY . 44.5 p -128.7 32.67 4.77 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 121.05 -0.26 . . . . 0.51 111.698 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -94.02 138.29 32.28 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.51 -0.314 . . . . 0.56 110.618 178.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.5 -44.26 97.39 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 120.885 0.374 . . . . 0.75 110.633 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.22 -36.05 82.04 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.854 -0.612 . . . . 0.19 110.771 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.21 89.03 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.261 -0.427 . . . . 0.21 110.804 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.05 -41.37 99.46 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.432 -0.349 . . . . 0.25 110.852 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 81.1 p -62.0 -42.61 99.35 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.453 -0.34 . . . . 0.18 110.983 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -63.95 -45.04 90.96 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.288 -0.414 . . . . 0.98 111.229 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 23.5 m -65.2 -47.32 77.32 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.333 -0.394 . . . . 0.29 110.958 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 85.5 mt -62.9 -45.89 97.73 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.626 -0.261 . . . . 1.01 110.73 -176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.6 p -61.21 -49.94 75.12 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.875 0.369 . . . . 1.25 110.801 -178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.2 t -63.12 -46.16 88.59 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.866 -0.607 . . . . 1.39 111.117 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.765 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.8 t -64.68 -43.71 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 116.391 -0.368 . . . . 0.23 110.734 -176.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -59.9 -41.42 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-O 120.598 0.237 . . . . 0.16 110.388 -178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -61.1 -53.86 51.78 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.983 0.42 . . . . 1.08 111.002 179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.61 -39.92 94.57 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.898 -0.592 . . . . 0.93 111.516 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.765 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.81 -36.98 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.383 -0.229 . . . . 0.22 110.383 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.2 t -65.22 -36.69 84.96 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.355 -0.384 . . . . 1.19 110.957 174.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.87 -41.18 95.43 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.165 -0.471 . . . . 0.29 111.064 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.7 m -72.71 -37.24 67.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.169 -0.469 . . . . 0.27 110.298 176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.667 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.3 m-20 -113.59 70.08 1.57 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.06 -0.518 . . . . 0.23 111.063 -175.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.22 -35.77 1.18 Allowed 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 121.63 1.553 . . . . 0.19 112.06 170.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.59 -28.64 73.49 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 111.619 -0.592 . . . . 0.18 111.619 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 86' ' ' ASN . 27.7 mt -76.76 156.63 32.24 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.698 0.285 . . . . 0.21 110.791 -176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 m -68.55 163.77 22.82 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.1 -0.5 . . . . 0.19 110.763 -177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.9 -38.59 94.31 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.406 -0.678 . . . . 0.14 111.406 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.63 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.5 t -66.29 -36.45 82.99 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 121.066 -0.254 . . . . 0.11 110.637 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.556 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.0 m-20 -60.96 -38.53 86.22 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.605 -0.27 . . . . 0.15 110.851 177.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.41 -44.57 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 116.357 -0.383 . . . . 0.15 110.464 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.66 HD22 HG12 ' B' ' 36' ' ' VAL . 12.7 tp -63.79 -41.28 97.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.241 -0.436 . . . . 0.18 110.955 -179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.0 t -60.11 -46.86 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.424 -0.353 . . . . 0.13 110.139 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.4 tp60 -63.54 -42.55 98.4 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.96 -0.564 . . . . 1.11 111.22 -174.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.824 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.64 -43.97 91.98 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.361 -0.381 . . . . 0.1 110.952 -179.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.52 HD22 ' CB ' ' B' ' 100' ' ' LEU . 91.1 mt -67.07 -50.52 61.5 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 120.992 -0.283 . . . . 0.23 111.719 -172.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.519 ' CB ' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.01 -29.77 64.53 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.157 -0.617 . . . . 0.48 110.677 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -65.13 -30.91 71.87 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 120.967 -0.293 . . . . 1.1 110.757 174.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.7 t -67.6 -35.96 74.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 109.945 -0.391 . . . . 0.13 109.945 172.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.597 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.08 -42.23 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 116.34 -0.391 . . . . 0.09 109.986 177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.688 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -66.43 -39.86 89.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.296 -0.411 . . . . 0.27 111.227 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.73 99.2 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.871 0.367 . . . . 0.15 110.483 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.539 HD11 HG13 ' B' ' 103' ' ' VAL . 35.4 mt -65.57 -35.8 81.91 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.979 -0.555 . . . . 0.11 111.193 179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.2 t -60.44 -41.41 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 110.11 -0.33 . . . . 0.12 110.11 175.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.404 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 8.2 m -60.86 -41.44 95.92 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.191 -0.459 . . . . 0.14 110.888 178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.87 -40.23 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.451 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.438 ' CD1' HD22 ' B' ' 106' ' ' LEU . 68.5 mt -62.69 -45.67 91.69 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.503 -0.317 . . . . 0.16 111.267 -178.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -68.01 -39.35 89.06 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.305 -0.718 . . . . 0.23 111.305 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 85.9 p -73.45 -27.63 61.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.449 0.166 . . . . 0.28 111.242 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 95.9 p -94.62 166.19 12.14 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.863 0.363 . . . . 0.14 110.946 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.2 m -99.04 139.42 34.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.761 -0.654 . . . . 0.09 110.375 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.42 124.43 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.468 -0.333 . . . . 0.13 110.418 -178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.56 -119.85 4.68 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.752 -0.939 . . . . 0.3 110.752 179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.49 129.98 49.17 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-O 120.635 0.255 . . . . 2.06 110.333 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 34.3 mm -77.97 130.38 36.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.162 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.485 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -91.89 87.76 6.36 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.576 -0.527 . . . . 0.67 109.576 173.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.15 -38.7 88.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.809 -0.632 . . . . 1.26 111.256 -169.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.47 -35.23 91.05 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.588 -0.605 . . . . 0.21 111.588 -176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.29 -1.98 39.21 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.296 0.48 . . . . 0.18 112.296 -176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.9 p -57.56 -36.22 71.37 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.781 0.325 . . . . 0.17 110.963 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.94 82.57 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.152 -0.476 . . . . 0.19 110.87 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.84 -44.1 90.88 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.493 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -63.93 -31.8 73.1 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.258 -0.428 . . . . 1.22 111.022 177.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.6 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.9 m -60.09 -40.72 90.58 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.38 -0.373 . . . . 0.21 110.367 173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -63.81 -33.64 76.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.951 -0.568 . . . . 1.64 111.063 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 73.9 mtp -61.77 -48.33 81.16 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.648 0.261 . . . . 0.44 110.857 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.0 t -65.99 -46.39 88.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.319 -0.4 . . . . 0.16 110.764 -178.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.8 -40.36 92.83 Favored Glycine 0 CA--C 1.531 1.094 0 N-CA-C 111.255 -0.738 . . . . 0.18 111.255 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.66 -45.29 90.81 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.545 0.212 . . . . 1.21 110.974 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.3 p -62.58 -35.3 79.05 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.439 -0.346 . . . . 0.24 111.192 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.703 HG13 ' HB1' ' B' ' 37' ' ' ALA . 95.9 t -64.24 -50.24 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.55 -0.295 . . . . 0.23 110.433 178.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.84 -49.51 74.61 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.365 -0.379 . . . . 0.27 111.097 -175.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -67.65 -39.88 84.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 2.28 111.18 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.419 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.51 -43.14 90.99 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.449 -173.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.675 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.5 mp -96.74 -8.25 31.79 Favored 'General case' 0 CA--C 1.535 0.365 0 N-CA-C 112.18 0.437 . . . . 0.87 112.18 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.58 -36.05 70.76 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 121.088 -0.245 . . . . 1.16 110.598 178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.005 -1.442 . . . . 2.62 111.0 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.386 -0.598 . . . . 33.16 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.4 -37.11 82.59 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.253 -0.43 . . . . 32.82 110.676 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -144.09 145.52 32.21 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.218 -0.446 . . . . 32.83 110.511 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.11 -37.13 86.48 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.222 -0.445 . . . . 34.46 110.922 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -165.8 37.61 0.06 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.182 -0.463 . . . . 31.75 110.55 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.31 145.07 11.87 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 110.793 -0.923 . . . . 30.32 110.793 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.5 177.08 46.9 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.991 -0.844 . . . . 29.16 110.991 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -66.07 -36.22 82.64 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.612 0.244 . . . . 29.37 110.744 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -63.81 -35.87 82.03 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.291 -0.413 . . . . 29.22 110.831 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.6 mtp -92.15 176.45 6.49 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.28 -0.418 . . . . 27.3 110.579 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.7 36.11 8.07 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.01 -0.836 . . . . 26.28 111.01 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -120.55 146.18 46.57 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.537 0.208 . . . . 27.96 110.56 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -179.23 -172.8 43.85 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.931 -0.868 . . . . 25.39 110.931 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.8 t -64.24 -35.71 81.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.588 0.233 . . . . 25.26 110.896 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 89.1 mtp -65.32 -36.25 83.47 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 25.89 110.801 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.5 -168.2 45.74 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.889 -0.884 . . . . 24.22 110.889 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -164.35 33.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.769 0.319 . . . . 23.68 110.799 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -108.02 142.7 37.78 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.343 -0.39 . . . . 22.43 110.418 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 87.2 p -66.67 -34.8 78.66 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.171 -0.468 . . . . 21.41 110.88 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.36 -62.95 1.23 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.202 -0.453 . . . . 20.15 110.456 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.77 -56.0 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.194 -0.457 . . . . 19.42 110.469 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.92 141.37 42.02 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.115 -0.493 . . . . 18.26 110.219 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.3 m -122.57 141.81 51.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.253 -0.431 . . . . 17.23 110.598 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.3 p -140.07 138.85 37.5 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.2 -0.455 . . . . 16.38 110.318 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.45 -78.35 1.27 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.867 -0.893 . . . . 14.42 110.867 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -92.06 -171.17 41.61 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.891 -0.884 . . . . 12.9 110.891 179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -111.11 137.88 48.23 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 110.432 -0.21 . . . . 12.61 110.432 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.45 99.32 0.08 OUTLIER Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.792 -0.923 . . . . 8.77 110.792 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.91 135.33 57.87 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 121.767 1.645 . . . . 7.53 112.467 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -114.77 142.38 46.6 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.125 -0.489 . . . . 8.51 110.569 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 93.7 p -138.55 155.4 48.41 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.154 -0.476 . . . . 5.0 110.457 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -66.32 -35.62 80.83 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.279 -0.419 . . . . 3.86 110.764 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -154.47 156.03 35.99 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.228 -0.442 . . . . 1.67 110.46 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.675 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.84 -60.55 0.0 OUTLIER Pre-proline 0 CA--C 1.534 0.341 0 CA-C-N 116.292 -0.413 . . . . 0.47 111.323 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 19.0 Cg_endo -58.09 -24.46 66.24 Favored 'Trans proline' 0 N--CA 1.499 1.843 0 C-N-CA 121.427 1.418 . . . . 0.44 112.766 -169.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.66 HG12 HD22 ' A' ' 95' ' ' LEU . 22.0 t -65.54 -48.08 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 110.103 -0.332 . . . . 0.32 110.103 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.703 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -67.5 -37.64 83.13 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.24 110.843 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 43.5 p -63.51 -40.24 96.53 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.14 -0.224 . . . . 1.14 110.713 -177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.16 89.96 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.282 -0.417 . . . . 0.24 110.537 177.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -35.66 81.16 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.11 -0.496 . . . . 0.18 110.765 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.88 -38.65 83.31 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.673 177.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.4 m -63.42 -49.8 72.33 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.95 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.39 -22.41 57.49 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 120.899 -0.321 . . . . 2.91 111.323 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.434 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 18.1 tp -62.39 -32.81 73.68 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 110.239 -0.282 . . . . 0.16 110.239 168.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 47.7 m -76.57 -16.7 59.53 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.503 -0.317 . . . . 1.35 111.824 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.9 p -62.56 152.38 81.0 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.328 -0.149 . . . . 0.25 111.058 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -57.87 -29.95 87.94 Favored 'Trans proline' 0 N--CA 1.498 1.753 0 C-N-CA 121.9 1.733 . . . . 0.58 112.124 -178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.06 98.83 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.362 -0.381 . . . . 0.41 110.502 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.05 84.7 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.16 -0.473 . . . . 0.29 110.748 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.4 m -59.5 -41.43 89.84 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.325 -0.398 . . . . 1.2 111.04 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.2 m -62.67 -41.43 99.08 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.162 -0.472 . . . . 1.37 110.791 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.702 ' NE ' HG22 ' B' ' 82' ' ' VAL . 80.8 mtm-85 -63.66 -34.64 78.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.175 -0.466 . . . . 1.87 110.949 178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 49' ' ' ALA . 48.8 t -61.29 -45.89 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 109.984 -0.376 . . . . 0.21 109.984 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -58.56 -44.35 89.67 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.226 -0.443 . . . . 1.19 110.748 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.6 m -61.53 -37.22 82.94 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.931 -0.577 . . . . 1.23 110.739 178.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -33.98 76.69 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.138 -0.483 . . . . 0.18 110.826 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.8 t -63.22 -52.43 58.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.401 -0.363 . . . . 0.15 110.282 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 21.3 t -61.16 -38.92 88.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.338 -0.392 . . . . 0.95 111.099 -177.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.8 t -64.79 -51.41 62.35 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.98 -177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.1 mt -66.47 -40.17 89.22 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.383 -0.371 . . . . 0.21 111.009 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.2 t -65.91 -47.36 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 116.201 -0.454 . . . . 0.22 110.87 -176.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.6 m -72.62 -43.4 63.31 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.149 -174.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 49.6 m -74.3 -38.54 63.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.41 -0.359 . . . . 0.24 111.011 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.74 110.11 0.87 Allowed Glycine 0 CA--C 1.534 1.237 0 N-CA-C 110.606 -0.998 . . . . 0.18 110.606 -177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -40.74 -32.67 0.89 Allowed 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 122.499 2.133 . . . . 0.3 114.405 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' A' ' 111' ' ' GLY . 44.7 p -128.83 32.97 4.7 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 121.072 -0.251 . . . . 0.51 111.604 -174.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.44 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -94.32 138.19 32.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.521 -0.309 . . . . 0.56 110.604 178.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -61.45 -44.38 97.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.907 0.384 . . . . 0.75 110.623 178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.44 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.07 -36.15 82.43 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.961 -0.563 . . . . 0.19 110.761 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.21 89.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.327 -0.397 . . . . 0.21 110.741 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.26 -41.03 98.99 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.413 -0.358 . . . . 0.25 110.887 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 81.6 p -62.32 -42.33 99.28 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.365 -0.379 . . . . 0.18 110.935 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.19 -45.17 89.54 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.132 -0.485 . . . . 0.98 111.106 -178.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.667 ' O ' HG23 ' B' ' 78' ' ' VAL . 23.4 m -65.24 -47.34 77.12 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.316 -0.402 . . . . 0.29 110.919 -176.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.656 ' O ' HG23 ' B' ' 79' ' ' VAL . 84.8 mt -62.83 -45.91 97.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.675 -0.239 . . . . 1.01 110.735 -176.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 90.1 p -61.17 -49.96 75.09 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.818 0.342 . . . . 1.25 110.819 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.3 t -63.17 -46.17 88.4 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.014 -0.539 . . . . 1.39 111.07 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.762 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.0 t -64.58 -43.89 96.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.23 110.78 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.656 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.7 t -59.81 -41.24 84.99 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.572 0.225 . . . . 0.16 110.449 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -61.27 -53.83 51.8 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.366 -0.379 . . . . 1.08 111.002 179.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -64.62 -39.82 94.39 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.997 -0.547 . . . . 0.93 111.525 -175.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.5 t -62.89 -36.55 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-O 120.596 0.236 . . . . 0.22 110.431 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -65.91 -36.27 82.93 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.299 -0.409 . . . . 1.19 110.706 175.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.44 96.93 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.209 -0.45 . . . . 0.29 110.929 -178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -72.24 -36.68 69.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.323 -0.399 . . . . 0.27 110.464 176.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.697 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.7 m-20 -114.44 69.97 2.07 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 116.056 -0.52 . . . . 0.23 110.845 -174.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -78.26 -35.89 1.14 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 121.643 1.562 . . . . 0.19 111.991 170.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.42 -28.95 73.81 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.697 HD12 ' HB3' ' B' ' 86' ' ' ASN . 28.0 mt -76.5 156.48 32.92 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.738 0.304 . . . . 0.21 110.889 -176.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 47.1 m -68.34 163.69 22.48 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.054 -0.521 . . . . 0.19 110.762 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.73 -38.77 94.36 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.421 -0.671 . . . . 0.14 111.421 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.638 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.5 t -66.33 -36.31 82.59 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 121.104 -0.238 . . . . 0.11 110.646 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.545 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -61.14 -38.13 85.3 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.584 -0.28 . . . . 0.15 110.858 177.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.4 t -62.9 -44.36 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-N 116.321 -0.399 . . . . 0.15 110.282 179.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.672 HD22 HG12 ' A' ' 36' ' ' VAL . 12.7 tp -64.0 -41.16 97.57 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.29 -0.414 . . . . 0.18 110.891 -179.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.1 t -60.08 -46.78 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.404 -0.362 . . . . 0.13 110.216 179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.601 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.5 tp60 -63.67 -42.37 98.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.952 -0.567 . . . . 1.11 111.19 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -64.88 -43.85 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.306 -0.406 . . . . 0.1 110.883 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.519 HD22 ' CB ' ' A' ' 100' ' ' LEU . 91.2 mt -66.62 -51.95 50.58 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.489 -0.323 . . . . 0.23 111.505 -172.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.52 ' CB ' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -70.75 -29.87 66.22 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 120.391 -0.524 . . . . 0.48 111.001 -175.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -65.33 -30.68 71.55 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.985 -0.286 . . . . 1.1 110.685 175.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 41.4 t -68.0 -35.6 72.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.857 -0.423 . . . . 0.13 109.857 172.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.0 t -61.49 -41.98 92.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 CA-C-N 116.32 -0.4 . . . . 0.09 109.925 177.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.66 -39.72 88.32 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.301 -0.409 . . . . 0.27 111.157 -179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.33 98.75 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.786 0.327 . . . . 0.15 110.453 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.55 HD11 HG13 ' A' ' 103' ' ' VAL . 35.4 mt -66.14 -35.59 80.88 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.978 -0.555 . . . . 0.11 111.021 179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 103' ' ' VAL . 96.0 t -60.61 -41.0 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 110.176 -0.305 . . . . 0.12 110.176 175.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.3 m -61.28 -41.09 96.37 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.218 -0.446 . . . . 0.14 110.829 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.3 -39.88 86.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.163 -0.471 . . . . 0.16 110.324 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.447 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.4 mt -62.87 -45.71 91.29 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.411 -0.359 . . . . 0.16 111.154 -177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.73 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.7 -39.89 90.22 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.213 -0.755 . . . . 0.23 111.213 -177.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.7 p -73.14 -27.95 61.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.471 0.177 . . . . 0.28 111.222 178.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 95.7 p -94.11 166.49 12.1 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.866 0.365 . . . . 0.14 111.008 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 69.9 m -99.32 139.45 34.96 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.807 -0.633 . . . . 0.09 110.242 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.57 124.43 49.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.46 -0.336 . . . . 0.13 110.426 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -103.53 -119.88 4.68 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.736 -0.946 . . . . 0.3 110.736 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -102.35 129.98 48.96 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.585 0.231 . . . . 2.06 110.402 178.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 35.0 mm -78.02 130.4 36.26 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.262 -0.426 . . . . 1.21 110.472 -178.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -91.94 87.73 6.32 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.585 -0.524 . . . . 0.67 109.585 173.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.94 -38.93 89.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.75 -0.659 . . . . 1.26 111.24 -169.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.38 -35.13 91.04 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.633 -0.587 . . . . 0.21 111.633 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.48 -2.03 40.21 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 112.2 0.445 . . . . 0.18 112.2 -176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.41 -36.1 70.91 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.673 0.273 . . . . 0.17 111.043 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.43 -36.11 82.93 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.192 -0.458 . . . . 0.19 110.745 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -64.6 -43.92 92.26 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.387 -0.37 . . . . 1.12 110.596 -179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.8 m-85 -64.44 -31.32 72.49 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.283 -0.417 . . . . 1.22 110.903 178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.573 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.1 m -60.5 -40.31 90.89 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.329 173.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -64.15 -33.73 76.46 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-N 115.987 -0.551 . . . . 1.64 110.837 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 73.8 mtp -61.79 -48.11 82.1 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.672 -0.24 . . . . 0.44 110.867 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.688 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.0 t -66.23 -46.59 86.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.393 -0.367 . . . . 0.16 110.588 -178.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.412 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -57.54 -40.46 92.41 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.314 -0.714 . . . . 0.18 111.314 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.63 -44.93 92.45 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.591 0.234 . . . . 1.21 111.064 -179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . 0.418 ' HB2' HD12 ' B' ' 75' ' ' ILE . 73.2 p -63.09 -35.04 78.93 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.284 -0.417 . . . . 0.24 111.047 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' ' 37' ' ' ALA . 96.0 t -64.38 -50.31 76.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.558 -0.292 . . . . 0.24 110.368 178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.68 -49.56 74.63 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.416 -0.356 . . . . 0.27 111.058 -175.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -67.78 -39.69 84.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.193 -0.458 . . . . 2.28 111.176 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.427 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.57 -43.31 90.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.331 -0.395 . . . . 0.36 111.402 -173.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.5 mp -96.45 -8.88 31.09 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.051 0.389 . . . . 0.87 112.051 -175.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.02 -36.13 72.27 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.105 -0.238 . . . . 1.16 110.682 178.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.042 -1.421 . . . . 2.35 111.003 179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 46.6 ttm . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.369 -0.604 . . . . 36.65 109.369 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 66.97 -68.74 0.14 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.199 -0.455 . . . . 37.14 110.936 -177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.5 p -142.83 161.92 36.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.542 -0.299 . . . . 36.26 110.546 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -119.81 152.17 37.69 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.241 -0.436 . . . . 36.12 110.511 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 t -135.38 158.66 43.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.147 -0.479 . . . . 35.35 110.68 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.33 42.87 0.05 OUTLIER Glycine 0 CA--C 1.527 0.788 0 N-CA-C 110.971 -0.852 . . . . 34.84 110.971 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.19 -175.61 37.99 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.928 -0.869 . . . . 34.37 110.928 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 62.19 150.26 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.756 0.313 . . . . 34.86 111.084 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -94.83 119.27 33.13 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.157 -0.474 . . . . 33.57 110.493 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.3 ttm -105.38 129.33 53.72 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.233 -0.44 . . . . 32.05 110.455 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 67.72 -130.08 27.97 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.981 -0.847 . . . . 30.8 110.981 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -131.01 133.22 45.57 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.658 0.266 . . . . 30.94 110.411 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 140.17 -179.86 18.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.852 -0.899 . . . . 29.08 110.852 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 88.7 p -143.47 156.34 44.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.644 0.259 . . . . 27.99 110.536 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.8 ttt -138.63 144.33 39.67 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.251 -0.431 . . . . 27.87 110.43 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.61 36.68 0.51 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.964 -0.854 . . . . 26.05 110.964 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.33 -38.3 84.66 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.613 0.244 . . . . 24.72 110.654 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -115.34 -67.1 1.02 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.494 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.2 p -152.77 161.75 42.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.282 -0.417 . . . . 22.02 110.553 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -168.26 86.75 0.21 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.207 -0.452 . . . . 21.23 110.608 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -170.01 113.73 0.49 Allowed 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.079 -0.51 . . . . 19.47 110.545 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -120.69 129.67 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.236 -0.438 . . . . 17.85 110.108 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.9 m -135.59 148.85 49.2 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.206 -0.452 . . . . 14.96 110.517 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.2 t -121.55 131.03 74.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.257 -0.429 . . . . 14.71 110.063 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.44 -167.52 53.19 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.97 -0.852 . . . . 11.62 110.97 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.29 34.25 0.71 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.044 -0.823 . . . . 9.69 111.044 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -155.53 78.29 1.0 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.942 0.401 . . . . 14.31 110.416 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.14 113.63 5.52 Favored Glycine 0 CA--C 1.534 1.238 0 N-CA-C 110.932 -0.867 . . . . 7.32 110.932 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -75.77 151.32 36.02 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 121.57 1.513 . . . . 5.74 112.03 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 59.65 47.81 10.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.057 0.456 . . . . 8.09 110.978 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -83.4 140.61 32.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.975 -0.557 . . . . 3.07 110.535 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.7 m 59.13 79.77 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.186 -0.461 . . . . 2.27 111.037 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -164.14 -49.64 0.03 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.084 -0.507 . . . . 0.79 110.596 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.69 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -66.35 -59.12 8.97 Favored Pre-proline 0 CA--C 1.534 0.337 0 CA-C-N 116.156 -0.475 . . . . 0.47 111.199 -179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.512 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.5 Cg_endo -56.67 -20.74 35.98 Favored 'Trans proline' 0 N--CA 1.501 1.933 0 C-N-CA 121.521 1.48 . . . . 0.44 112.716 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.3 t -64.75 -49.75 78.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.104 -0.332 . . . . 0.31 110.104 176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.29 -36.68 83.58 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.197 -0.456 . . . . 0.24 110.817 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 82.5 p -62.42 -40.37 96.34 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.44 -0.345 . . . . 1.14 110.811 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.88 91.91 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.23 -0.441 . . . . 0.24 110.566 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.73 -37.56 87.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.918 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.66 -36.44 80.72 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.782 177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -63.03 -49.89 72.81 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.428 -0.351 . . . . 1.26 110.873 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -75.3 -22.96 57.33 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 120.797 -0.361 . . . . 2.91 111.391 178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.2 tp -61.42 -32.16 72.1 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 110.319 -0.252 . . . . 0.16 110.319 168.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.2 m -76.02 -11.76 60.01 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 111.814 0.301 . . . . 1.35 111.814 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -65.34 152.11 92.67 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.227 -0.189 . . . . 0.25 110.947 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.62 -32.58 83.9 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.826 1.684 . . . . 0.57 112.397 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.04 -40.78 98.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.269 -0.423 . . . . 0.41 110.699 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.59 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -45.47 80.24 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.154 -0.475 . . . . 0.29 110.727 -179.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -58.96 -40.53 84.99 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.903 0.382 . . . . 1.2 111.124 -177.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.89 -42.15 99.67 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.084 -0.507 . . . . 1.37 110.762 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 67.6 mtm-85 -64.84 -33.06 75.11 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.248 -0.433 . . . . 1.87 111.174 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.6 t -61.64 -47.98 90.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 109.991 -0.374 . . . . 0.21 109.991 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.7 p -59.75 -43.41 94.27 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.921 0.391 . . . . 1.19 110.734 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -62.25 -37.58 85.97 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.942 -0.572 . . . . 1.23 110.637 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.19 74.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.18 -0.464 . . . . 0.18 110.885 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.613 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.4 t -63.36 -53.11 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.104 -0.332 . . . . 0.15 110.104 178.607 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 14.4 t -59.27 -38.9 81.28 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.382 -0.372 . . . . 0.95 111.067 -177.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.8 t -64.79 -51.71 60.79 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.361 -0.381 . . . . 1.23 110.973 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.78 -39.84 87.95 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.317 -0.402 . . . . 0.21 111.016 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 57' ' ' VAL . 94.4 t -65.59 -48.02 84.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.252 -0.431 . . . . 0.22 110.922 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.5 m -73.18 -43.15 61.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.232 -174.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 66.9 m -76.91 -38.51 53.37 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.5 -0.318 . . . . 0.24 110.989 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.26 109.78 0.72 Allowed Glycine 0 CA--C 1.533 1.165 0 N-CA-C 110.641 -0.984 . . . . 0.18 110.641 -177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_exo -39.95 -32.42 0.6 Allowed 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.665 2.243 . . . . 0.3 114.365 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.744 HG21 ' CA ' ' B' ' 111' ' ' GLY . 3.6 p -130.38 34.98 4.11 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.755 0.312 . . . . 0.51 111.489 -176.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -91.92 137.35 32.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.41 -0.359 . . . . 0.56 110.573 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -61.76 -43.52 98.7 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.482 -0.326 . . . . 0.75 110.62 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.97 86.7 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.092 -0.503 . . . . 0.19 110.659 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -66.63 -42.9 86.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.293 -0.412 . . . . 0.21 110.881 -178.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.7 mt -63.14 -41.0 99.21 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.451 -0.341 . . . . 0.25 110.744 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -62.38 -42.44 99.42 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.469 -0.332 . . . . 0.18 110.911 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -64.13 -46.17 85.31 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.328 -0.397 . . . . 0.98 111.205 -177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.1 m -65.33 -47.58 75.99 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.389 -0.369 . . . . 0.29 110.893 -176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.669 ' O ' HG23 ' A' ' 79' ' ' VAL . 78.8 mt -63.08 -44.62 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.538 -0.301 . . . . 1.01 110.705 -176.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.452 ' OG ' ' HB1' ' A' ' 137' ' ' ALA . 18.5 m -61.01 -50.15 74.51 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.859 0.361 . . . . 1.25 110.885 -178.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.07 -45.5 91.85 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.896 -0.593 . . . . 1.39 111.174 -177.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.758 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.1 t -64.11 -46.92 92.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.417 -0.356 . . . . 0.23 110.654 -176.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.7 t -58.57 -42.5 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-O 120.751 0.31 . . . . 0.16 110.503 -177.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.55 -54.02 50.47 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.217 -0.447 . . . . 1.08 111.074 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.62 -35.91 79.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.912 -0.585 . . . . 0.93 111.4 -174.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -63.28 -37.02 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t -64.79 -37.73 88.59 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.39 -0.368 . . . . 1.19 110.948 174.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.65 98.3 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.153 -178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.15 -36.26 66.62 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.4 178.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.5 70.8 1.12 Allowed Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.14 -0.482 . . . . 0.23 110.972 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -76.26 -32.51 3.98 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 121.673 1.582 . . . . 0.19 111.96 169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.1 77.07 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.51 -0.636 . . . . 0.18 111.51 178.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.3 mt -80.52 152.59 28.59 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.669 0.271 . . . . 0.21 110.734 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.12 164.18 20.87 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.106 -0.497 . . . . 0.19 110.722 -177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.7 -38.04 93.25 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.395 -0.682 . . . . 0.14 111.395 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -65.99 -37.55 86.23 Favored 'General case' 0 N--CA 1.461 0.107 0 C-N-CA 121.108 -0.237 . . . . 0.11 110.687 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.41 -37.38 83.24 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.504 -0.316 . . . . 0.15 110.823 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 43.4 t -62.75 -43.6 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.15 110.384 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.674 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 17.1 tp -63.45 -41.19 98.64 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.188 -0.46 . . . . 0.18 110.909 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 92' ' ' CYS . 54.3 t -60.14 -45.44 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.339 -0.391 . . . . 0.13 110.072 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.8 tp60 -63.62 -43.43 96.86 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.839 -0.619 . . . . 1.11 111.365 -174.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.47 -42.76 91.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.945 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.7 mt -67.14 -50.59 60.73 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 121.037 -0.265 . . . . 0.23 111.635 -172.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.04 -29.92 65.96 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.183 -0.607 . . . . 0.48 110.528 -175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -64.6 -32.3 73.9 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 120.687 0.279 . . . . 1.1 110.738 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -67.11 -36.21 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.875 -0.417 . . . . 0.13 109.875 173.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.586 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.8 t -61.27 -42.82 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.348 -0.387 . . . . 0.09 110.157 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.684 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -66.03 -39.98 90.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.243 -0.435 . . . . 0.27 111.249 -178.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.74 99.04 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.014 0.435 . . . . 0.15 110.498 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.5 HD11 HG13 ' B' ' 103' ' ' VAL . 32.6 mt -65.56 -35.3 80.44 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.926 -0.579 . . . . 0.11 111.248 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 103' ' ' VAL . 99.5 t -60.58 -42.11 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -60.75 -43.21 98.24 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.154 -0.476 . . . . 0.14 110.853 179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.37 -43.15 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.099 -0.5 . . . . 0.16 110.605 -179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 69.2 mt -62.66 -46.91 86.01 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 0.16 111.25 -176.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.736 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.64 -39.2 90.57 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.331 -0.708 . . . . 0.23 111.331 -176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.2 p -75.85 -24.17 55.75 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 120.4 0.143 . . . . 0.28 111.366 178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -94.4 166.28 12.15 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.712 0.291 . . . . 0.14 110.827 -177.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.0 m -96.18 134.86 38.75 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.943 -0.571 . . . . 0.09 110.358 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.41 118.58 43.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.269 -0.423 . . . . 0.13 110.531 -178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.86 -112.16 3.22 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.632 -0.987 . . . . 0.3 110.632 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.1 139.15 44.38 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.251 -0.277 . . . . 2.06 110.251 175.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.547 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.7 mp -98.17 126.16 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.435 -0.348 . . . . 1.21 110.288 -178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.98 92.91 4.36 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.073 -0.512 . . . . 0.67 109.824 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.45 -41.24 89.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 1.26 111.225 -170.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.64 -33.3 86.87 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.745 -0.542 . . . . 0.21 111.745 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.88 1.37 31.07 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 112.374 0.509 . . . . 0.18 112.374 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.7 -36.63 72.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.782 0.325 . . . . 0.17 110.9 -178.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.14 -36.22 83.57 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.159 -0.473 . . . . 0.19 110.927 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.97 -43.95 90.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.335 -0.393 . . . . 1.12 110.504 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.52 -32.02 73.35 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.314 -0.403 . . . . 1.22 110.896 177.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.491 ' OG1' HG11 ' B' ' 53' ' ' VAL . 12.6 m -61.04 -40.07 92.2 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.387 -0.37 . . . . 0.21 110.474 174.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.23 -34.5 77.8 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.177 -0.465 . . . . 1.64 110.866 176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 64.4 mtp -62.13 -49.4 76.03 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.592 -0.276 . . . . 0.44 110.896 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.665 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.5 t -65.04 -46.65 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.339 -0.391 . . . . 0.16 110.704 -177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.457 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.79 -39.09 90.9 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.286 -0.726 . . . . 0.18 111.286 177.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -63.48 -45.36 91.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.671 0.272 . . . . 1.21 110.953 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.9 p -62.54 -34.86 77.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.225 -0.443 . . . . 0.24 111.165 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.08 -50.24 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.441 -0.345 . . . . 0.23 110.409 178.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.01 -49.69 73.66 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.397 -0.365 . . . . 0.27 111.096 -175.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.27 -40.74 86.22 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.196 -0.456 . . . . 2.28 111.264 -177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.483 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.74 -43.14 89.9 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.47 -173.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.67 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.5 mp -96.33 -8.04 33.67 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.169 0.433 . . . . 0.87 112.169 -175.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.93 -36.03 69.81 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 121.073 -0.251 . . . . 1.16 110.586 177.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.993 -1.448 . . . . 2.62 110.948 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.327 -0.62 . . . . 33.16 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.53 152.03 39.09 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.22 -0.445 . . . . 32.82 110.57 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -123.38 148.26 46.25 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.209 -0.45 . . . . 32.83 110.534 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -64.98 -35.86 82.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.208 -0.451 . . . . 34.46 110.856 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.3 p -85.22 162.43 19.18 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.31 -0.405 . . . . 31.75 110.529 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -165.56 -123.56 0.66 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.863 -0.895 . . . . 30.32 110.863 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.92 -34.47 5.59 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.106 -0.798 . . . . 29.16 111.106 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -104.69 139.64 39.21 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.667 0.27 . . . . 29.37 110.567 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.05 126.2 52.03 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.302 -0.408 . . . . 29.22 110.584 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -67.36 -36.45 81.4 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.15 -0.477 . . . . 27.3 110.847 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.01 -52.96 33.06 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.292 -0.723 . . . . 26.28 111.292 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -67.08 -39.73 86.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.613 0.244 . . . . 27.96 110.751 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.85 95.97 0.02 OUTLIER Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.149 -0.78 . . . . 25.39 111.149 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.9 m -64.69 -37.92 89.23 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.703 0.287 . . . . 25.26 110.793 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.9 mtm -140.61 162.59 35.03 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.217 -0.447 . . . . 25.89 110.521 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 129.45 47.66 0.15 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.954 -0.858 . . . . 24.22 110.954 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.15 34.44 0.99 Allowed 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.792 0.33 . . . . 23.68 110.654 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.31 154.72 41.28 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 22.43 110.579 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.1 m -120.05 148.89 43.02 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.145 -0.479 . . . . 21.41 110.461 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.99 139.16 55.0 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.158 -0.474 . . . . 20.15 110.578 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 156.84 40.15 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.112 -0.495 . . . . 19.42 110.536 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 29.6 m -129.53 152.14 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.235 -0.439 . . . . 18.26 110.514 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 29.0 t -145.52 148.42 33.19 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.16 -0.473 . . . . 17.23 110.601 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.9 t -113.47 133.07 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.239 -0.437 . . . . 16.38 110.087 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.57 -166.4 45.4 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.912 -0.875 . . . . 14.42 110.912 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -177.53 -179.3 47.69 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.012 -0.835 . . . . 12.9 111.012 179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -66.12 -39.66 90.09 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.684 0.278 . . . . 12.61 110.667 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.16 163.55 20.98 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.903 -0.879 . . . . 8.77 110.903 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.76 -36.19 33.23 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.707 1.605 . . . . 7.53 111.994 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -134.45 140.25 46.11 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.264 -0.425 . . . . 8.51 110.591 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 65.7 m -134.4 135.95 42.97 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 116.22 -0.446 . . . . 5.0 110.519 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m 61.57 -79.08 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.149 -0.478 . . . . 3.86 111.276 -179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 27.6 t -151.68 151.11 31.02 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.574 0.226 . . . . 1.67 110.528 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.67 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -175.27 -59.7 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 116.295 -0.411 . . . . 0.47 111.115 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.4 Cg_endo -56.38 -20.89 34.57 Favored 'Trans proline' 0 N--CA 1.499 1.852 0 C-N-CA 121.657 1.571 . . . . 0.44 112.692 -178.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.77 -49.5 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.54 -36.55 82.96 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.209 -0.451 . . . . 0.24 110.735 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 82.6 p -62.55 -40.31 96.4 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.424 -0.353 . . . . 1.14 110.755 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.7 91.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.24 110.511 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -37.44 87.06 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.214 -0.448 . . . . 0.18 110.787 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.95 -36.28 79.83 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.143 -0.48 . . . . 0.17 110.712 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.1 m -63.1 -49.81 73.0 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.477 -0.329 . . . . 1.26 110.895 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.2 ptt180 -75.6 -22.37 56.96 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 120.89 -0.324 . . . . 2.91 111.354 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.472 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.5 tp -61.6 -32.73 72.86 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 110.125 -0.324 . . . . 0.16 110.125 168.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.6 -11.78 60.08 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.1 p -65.39 152.25 92.52 Favored Pre-proline 0 CA--C 1.534 0.347 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.898 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.69 -32.71 84.88 Favored 'Trans proline' 0 N--CA 1.5 1.877 0 C-N-CA 121.941 1.761 . . . . 0.58 112.265 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.9 99.12 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.248 -0.433 . . . . 0.41 110.648 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.583 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -45.37 81.15 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.123 -0.49 . . . . 0.29 110.758 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.7 p -59.18 -40.48 85.83 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.779 0.323 . . . . 1.2 111.064 -177.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.91 -41.99 99.63 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.158 -0.474 . . . . 1.37 110.793 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.693 ' NE ' HG22 ' B' ' 82' ' ' VAL . 67.5 mtm-85 -65.02 -32.96 74.95 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.075 179.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.583 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.7 t -61.86 -47.76 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 110.005 -0.369 . . . . 0.21 110.005 177.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.1 p -59.83 -43.44 94.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.835 0.35 . . . . 1.19 110.688 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.5 m -62.2 -37.56 85.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.023 -0.535 . . . . 1.23 110.601 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.16 74.79 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.105 -0.498 . . . . 0.18 110.845 177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.1 t -63.3 -53.01 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.441 -0.345 . . . . 0.15 110.2 178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 14.3 t -59.35 -38.95 81.69 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.373 -0.376 . . . . 0.95 111.004 -177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 t -64.74 -51.69 60.99 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.458 -0.337 . . . . 1.23 110.935 -177.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.84 -39.71 87.72 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.386 -0.37 . . . . 0.21 110.983 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' B' ' 57' ' ' VAL . 93.3 t -65.74 -48.03 83.8 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-N 116.307 -0.406 . . . . 0.22 110.823 -175.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.8 m -72.99 -43.45 62.17 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 1.31 111.142 -174.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.8 m -76.65 -38.58 54.33 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.979 -177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.18 109.65 0.71 Allowed Glycine 0 CA--C 1.532 1.144 0 N-CA-C 110.706 -0.958 . . . . 0.18 110.706 -177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -39.87 -32.32 0.57 Allowed 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.662 2.242 . . . . 0.3 114.414 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' CA ' ' A' ' 111' ' ' GLY . 3.8 p -130.6 35.22 4.04 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.811 0.339 . . . . 0.51 111.423 -176.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.25 137.35 32.44 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.299 -0.41 . . . . 0.56 110.475 177.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 19.4 tp60 -61.7 -43.7 98.36 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.545 -0.298 . . . . 0.75 110.548 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.05 87.27 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.127 -0.488 . . . . 0.19 110.684 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.52 -42.93 86.55 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.241 -0.436 . . . . 0.21 110.864 -178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 49.2 mt -63.32 -40.6 97.77 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.808 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -42.07 99.53 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.908 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -64.3 -46.36 83.94 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.261 -0.427 . . . . 0.98 111.052 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.676 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -65.36 -47.54 76.05 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.411 -0.359 . . . . 0.29 110.839 -176.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.665 ' O ' HG23 ' B' ' 79' ' ' VAL . 78.4 mt -63.11 -44.6 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.506 -0.315 . . . . 1.01 110.773 -176.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.458 ' OG ' ' HB1' ' B' ' 137' ' ' ALA . 18.1 m -60.95 -50.2 74.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.803 0.335 . . . . 1.25 110.881 -178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.11 -45.49 91.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.056 -177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.7 t -64.19 -46.87 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.372 -0.376 . . . . 0.23 110.705 -176.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.52 -42.4 84.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-O 120.639 0.257 . . . . 0.16 110.54 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.66 -54.12 49.17 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.212 -0.449 . . . . 1.08 111.056 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.54 -35.83 79.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.545 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.4 t -63.31 -36.57 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 121.117 -0.233 . . . . 0.22 110.424 178.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 19.7 t -65.55 -37.27 86.24 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.346 -0.388 . . . . 1.19 110.689 175.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.89 99.04 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.195 -0.457 . . . . 0.29 111.046 -178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.72 -35.75 67.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.342 -0.39 . . . . 0.27 110.604 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.594 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.11 70.37 1.3 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.065 -0.516 . . . . 0.23 110.879 -174.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -76.16 -32.48 4.11 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 121.67 1.58 . . . . 0.19 111.966 169.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.45 78.0 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.411 -0.676 . . . . 0.18 111.411 178.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.9 mt -80.11 152.5 29.25 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.655 0.264 . . . . 0.21 110.892 -177.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.06 164.09 20.94 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.747 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.63 -38.09 93.23 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.418 -0.673 . . . . 0.14 111.418 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.584 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.6 t -65.97 -37.4 85.89 Favored 'General case' 0 N--CA 1.461 0.119 0 C-N-CA 120.976 -0.29 . . . . 0.11 110.734 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.56 -36.96 82.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.808 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.36 -43.27 98.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.15 110.214 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 17.2 tp -63.72 -41.09 98.12 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.267 -0.424 . . . . 0.18 110.786 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 92' ' ' CYS . 54.7 t -60.24 -45.23 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.387 -0.369 . . . . 0.13 110.073 178.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -63.76 -43.28 96.87 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 115.896 -0.593 . . . . 1.11 111.263 -174.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.68 -42.73 90.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.928 -178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.518 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.5 mt -66.56 -52.12 49.02 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.461 -0.336 . . . . 0.23 111.529 -173.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.537 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.71 -29.96 67.48 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 120.335 -0.546 . . . . 0.48 110.945 -176.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.84 -31.96 73.44 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 121.011 -0.276 . . . . 1.1 110.696 175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.2 t -67.54 -35.88 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.212 0 N-CA-C 109.802 -0.444 . . . . 0.13 109.802 173.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.595 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.5 t -61.67 -42.7 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.308 -0.405 . . . . 0.09 109.994 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.665 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -66.19 -39.73 89.9 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.276 -0.42 . . . . 0.27 111.316 -177.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.25 -42.44 98.63 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.861 0.362 . . . . 0.15 110.46 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.513 HD11 HG13 ' A' ' 103' ' ' VAL . 33.2 mt -65.91 -35.23 80.05 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.856 -0.611 . . . . 0.11 111.021 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.5 t -60.7 -41.96 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.177 -0.305 . . . . 0.12 110.177 176.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.3 m -60.86 -43.0 98.96 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.159 -0.473 . . . . 0.14 110.803 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.71 -42.95 96.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.106 -0.497 . . . . 0.16 110.517 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.493 ' CD1' HD22 ' A' ' 106' ' ' LEU . 67.8 mt -62.74 -46.88 86.03 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.375 -0.375 . . . . 0.16 111.331 -176.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.34 -39.86 91.81 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.238 -0.745 . . . . 0.23 111.238 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.0 p -75.42 -24.58 57.12 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 120.413 0.149 . . . . 0.28 111.374 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.2 p -93.66 166.71 12.09 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.776 0.322 . . . . 0.14 110.869 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.8 m -96.43 134.8 39.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.419 -178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -96.54 118.59 43.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.425 -0.352 . . . . 0.13 110.41 -178.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.82 -112.15 3.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.609 -0.996 . . . . 0.3 110.609 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -109.09 139.01 44.55 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 110.205 -0.294 . . . . 2.06 110.205 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.534 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -98.08 126.04 51.19 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.397 -0.365 . . . . 1.21 110.364 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -77.95 92.86 4.35 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.116 -0.493 . . . . 0.67 109.864 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.29 -41.29 90.02 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.852 -0.613 . . . . 1.26 111.279 -170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.65 -33.32 86.92 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.648 -0.581 . . . . 0.21 111.648 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -81.02 1.39 31.56 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.345 0.498 . . . . 0.18 112.345 -176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.56 -36.43 71.64 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.685 0.278 . . . . 0.17 111.038 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.45 -36.26 83.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.133 -0.485 . . . . 0.19 110.813 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.78 -43.82 92.0 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.334 -0.393 . . . . 1.12 110.624 -179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.84 -31.61 72.85 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.348 -0.387 . . . . 1.22 110.87 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.492 ' OG1' HG11 ' A' ' 53' ' ' VAL . 12.9 m -61.43 -39.8 92.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.341 -0.39 . . . . 0.21 110.352 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.58 -34.37 77.66 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.101 -0.499 . . . . 1.64 110.803 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 64.2 mtp -62.23 -49.21 76.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.605 -0.271 . . . . 0.44 110.917 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.684 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.0 t -65.27 -46.74 89.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 116.461 -0.336 . . . . 0.16 110.564 -177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.59 -39.23 90.63 Favored Glycine 0 CA--C 1.532 1.094 0 N-CA-C 111.308 -0.717 . . . . 0.18 111.308 177.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -63.48 -44.95 92.93 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.663 0.268 . . . . 1.21 111.046 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 96.3 p -63.0 -34.81 78.35 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.257 -0.429 . . . . 0.24 110.945 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.4 t -64.16 -50.18 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.449 178.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.98 -49.54 74.31 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.374 -0.375 . . . . 0.27 111.092 -175.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -67.52 -40.55 85.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.205 -0.452 . . . . 2.28 111.178 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.477 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.81 -43.39 88.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.405 -0.361 . . . . 0.36 111.272 -173.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.69 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.5 mp -95.96 -8.68 33.15 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -175.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.38 -36.05 71.3 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.67 0.272 . . . . 1.16 110.669 177.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.753 0 CA-C-O 117.966 -1.464 . . . . 2.35 110.977 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.409 -0.589 . . . . 36.65 109.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 142.91 53.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.164 -0.471 . . . . 37.14 110.633 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.5 t -138.28 143.55 40.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.214 -0.448 . . . . 36.26 110.469 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 86.9 mtp -112.07 142.36 44.61 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 36.12 110.579 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -138.37 157.16 46.77 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.188 -0.46 . . . . 35.35 110.601 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.34 -174.73 44.98 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.947 -0.861 . . . . 34.84 110.947 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.82 -178.26 51.76 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.873 -0.891 . . . . 34.37 110.873 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -65.4 -37.87 88.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.604 0.24 . . . . 34.86 110.758 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -142.73 152.29 42.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 33.57 110.553 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.5 mtp -129.3 161.15 30.9 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.213 -0.449 . . . . 32.05 110.494 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.66 -36.65 0.91 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.946 -0.862 . . . . 30.8 110.946 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -123.42 147.93 46.64 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.638 0.256 . . . . 30.94 110.504 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.05 130.3 24.47 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.936 -0.865 . . . . 29.08 110.936 -179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.46 -35.69 81.65 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.643 0.259 . . . . 27.99 110.839 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.3 mtm -90.58 135.4 33.73 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.291 -0.413 . . . . 27.87 110.573 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.73 -169.21 32.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.774 -0.931 . . . . 26.05 110.774 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.53 106.56 10.56 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.612 0.244 . . . . 24.72 110.471 179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -155.51 165.73 35.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.103 -0.499 . . . . 23.32 110.527 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.1 t -69.04 158.3 35.07 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.215 -0.448 . . . . 22.02 110.591 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 145.59 55.05 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.213 -0.448 . . . . 21.23 110.697 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.63 146.37 25.14 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.18 -0.464 . . . . 19.47 110.597 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -114.53 142.16 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.184 -0.462 . . . . 17.85 110.078 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 t -91.17 154.34 19.4 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.226 -0.443 . . . . 14.96 110.435 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -93.18 133.5 34.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.264 -0.426 . . . . 14.71 110.167 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.86 161.04 11.44 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.871 -0.891 . . . . 11.62 110.871 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 99.83 -31.75 8.04 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.292 -0.723 . . . . 9.69 111.292 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 58.35 79.43 0.21 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.97 0.414 . . . . 14.31 110.949 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.4 58.05 9.3 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.071 -0.812 . . . . 7.32 111.071 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -75.75 144.43 27.87 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 121.775 1.65 . . . . 5.74 112.07 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -100.23 44.43 1.02 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.115 0.484 . . . . 8.09 110.419 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.2 t -123.97 142.59 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.878 -0.601 . . . . 3.07 110.527 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t 59.12 68.61 0.79 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.171 -0.468 . . . . 2.27 110.929 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 t -163.19 -50.22 0.04 OUTLIER 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.985 -0.552 . . . . 0.79 110.526 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.678 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -66.58 -59.13 8.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.47 111.217 -179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.501 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.1 Cg_endo -56.01 -20.8 31.51 Favored 'Trans proline' 0 N--CA 1.501 1.916 0 C-N-CA 121.613 1.542 . . . . 0.44 112.803 -176.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.584 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.76 -49.6 79.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 N-CA-C 110.152 -0.314 . . . . 0.31 110.152 176.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.782 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.51 -36.66 83.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.255 -0.429 . . . . 0.24 110.825 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 79.9 p -61.93 -41.12 97.58 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.782 0.325 . . . . 1.14 110.848 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.63 91.87 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.169 -0.469 . . . . 0.24 110.561 177.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.81 -37.94 88.73 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 0.18 111.0 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.55 84.8 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.676 178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 30.4 m -62.41 -48.45 79.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.304 -0.407 . . . . 1.26 110.956 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -75.27 -22.87 57.49 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.591 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.746 HD22 HD12 ' A' ' 100' ' ' LEU . 10.3 tp -62.1 -32.38 72.93 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 116.802 -0.181 . . . . 0.16 110.516 171.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.1 p -78.28 -4.58 48.59 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 111.914 0.339 . . . . 1.35 111.914 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 72.6 p -65.98 152.17 94.01 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 121.26 -0.176 . . . . 0.25 110.772 178.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.85 -31.89 96.18 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.727 1.618 . . . . 0.57 112.133 -178.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.86 -40.3 96.24 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.299 -0.409 . . . . 0.41 110.724 179.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -44.92 83.94 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.095 -0.502 . . . . 0.29 110.777 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -58.85 -40.94 85.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.293 -0.412 . . . . 1.2 111.065 -178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 m -62.49 -40.64 97.34 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.053 -0.522 . . . . 1.37 110.713 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.72 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.7 mtm-85 -64.17 -34.5 78.22 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 1.87 111.011 178.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 49' ' ' ALA . 49.0 t -61.6 -47.78 91.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 110.067 -0.346 . . . . 0.21 110.067 177.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.5 p -59.23 -42.73 91.73 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.312 -0.404 . . . . 1.19 110.757 -178.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -62.19 -38.19 88.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.948 -0.569 . . . . 1.23 110.67 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.74 -33.05 74.33 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.156 -0.474 . . . . 0.18 110.887 177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 61' ' ' VAL . 36.5 t -63.36 -53.21 48.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.167 178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.5 t -59.23 -38.5 80.14 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.363 -0.38 . . . . 0.95 111.13 -177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 m -65.03 -50.97 64.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.344 -0.389 . . . . 1.23 110.936 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.7 mt -67.43 -39.75 85.45 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.395 -0.366 . . . . 0.21 110.947 -177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 57' ' ' VAL . 97.5 t -65.33 -48.16 84.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-N 116.283 -0.417 . . . . 0.22 111.03 -176.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.24 -43.17 61.62 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.531 -0.304 . . . . 1.31 111.117 -174.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -76.55 -37.62 56.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.526 -0.307 . . . . 0.24 111.011 -177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.02 106.94 0.65 Allowed Glycine 0 CA--C 1.533 1.168 0 N-CA-C 110.613 -0.995 . . . . 0.18 110.613 -177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -42.38 -32.74 2.28 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 122.405 2.07 . . . . 0.3 114.106 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.748 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.5 p -124.97 30.73 5.81 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 121.152 -0.219 . . . . 0.51 111.574 -172.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -96.2 141.93 28.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.617 -0.265 . . . . 0.56 110.816 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -63.12 -45.22 93.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.519 -0.309 . . . . 0.75 110.571 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.91 -37.4 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.77 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.16 -45.29 77.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.89 -178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -63.52 -39.02 93.33 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.456 -0.338 . . . . 0.25 110.93 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.53 -41.87 99.15 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.518 -0.31 . . . . 0.18 110.926 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.08 -45.75 87.33 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.31 -0.405 . . . . 0.98 111.207 -178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.694 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.0 m -65.54 -47.8 74.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.304 -0.407 . . . . 0.29 110.885 -177.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.699 ' O ' HG23 ' A' ' 79' ' ' VAL . 83.7 mt -62.74 -45.32 99.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.54 -0.3 . . . . 1.01 110.741 -176.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.25 -49.11 78.41 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.908 0.385 . . . . 1.25 110.817 -178.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.95 -44.62 95.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.928 -0.578 . . . . 1.39 111.187 -177.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.777 ' O ' HG23 ' A' ' 82' ' ' VAL . 57.7 t -65.02 -43.25 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.341 -0.39 . . . . 0.23 110.74 -176.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 75' ' ' ILE . 85.8 t -59.86 -42.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-O 120.642 0.258 . . . . 0.16 110.388 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.83 -54.07 49.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.32 -0.4 . . . . 1.08 110.991 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.64 -37.41 87.48 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.893 -0.594 . . . . 0.93 111.531 -175.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.3 t -63.01 -38.03 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.39 -0.226 . . . . 0.22 110.39 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.8 t -65.0 -37.38 87.48 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.336 -0.393 . . . . 1.19 110.921 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.56 97.79 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.249 -0.432 . . . . 0.29 111.111 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -72.94 -36.91 67.29 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.296 -0.411 . . . . 0.27 110.409 178.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.491 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.42 71.83 1.2 Allowed Pre-proline 0 CA--C 1.538 0.493 0 CA-C-N 116.152 -0.476 . . . . 0.23 111.026 -174.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -78.15 -31.05 3.1 Favored 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 121.642 1.562 . . . . 0.19 112.036 168.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.44 -30.46 77.93 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.672 -0.571 . . . . 0.18 111.672 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.491 HD12 ' HB3' ' A' ' 86' ' ' ASN . 88.5 mt -79.69 153.68 29.14 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.829 0.347 . . . . 0.21 110.807 -176.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.36 165.45 16.44 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.04 -0.527 . . . . 0.19 110.69 -178.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -39.36 93.62 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.45 -0.66 . . . . 0.14 111.45 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -66.43 -37.63 85.61 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 121.048 -0.261 . . . . 0.11 110.772 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -61.42 -37.31 83.03 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.566 0.222 . . . . 0.15 111.024 178.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.5 t -62.8 -44.46 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.491 -0.322 . . . . 0.15 110.275 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 21.9 tp -62.58 -42.45 99.56 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.126 -0.488 . . . . 0.18 110.761 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.615 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.0 t -58.35 -51.12 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 110.003 -0.369 . . . . 0.13 110.003 179.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.507 ' HA ' HD21 ' A' ' 100' ' ' LEU . 42.1 tp60 -60.49 -43.58 96.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.758 -0.656 . . . . 1.11 111.254 -173.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.82 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.09 -39.27 94.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.152 -0.476 . . . . 0.1 110.862 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.22 -50.74 52.08 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 120.837 -0.345 . . . . 0.23 111.808 -172.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.746 HD12 HD22 ' A' ' 44' ' ' LEU . 1.2 pt? -72.08 -29.25 63.94 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.866 -0.734 . . . . 0.48 110.957 -175.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -64.17 -32.18 73.66 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 121.058 -0.257 . . . . 1.1 110.83 174.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.0 t -67.98 -36.7 76.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 N-CA-C 109.864 -0.421 . . . . 0.13 109.864 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.618 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -61.13 -41.56 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.244 -0.434 . . . . 0.09 110.028 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.703 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.0 p -67.65 -38.42 83.8 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.298 -0.41 . . . . 0.27 111.28 -178.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.1 -43.72 98.46 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.94 0.4 . . . . 0.15 110.437 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 106' ' ' LEU . 37.2 mt -65.51 -35.99 82.53 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.923 -0.581 . . . . 0.11 111.036 179.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 103' ' ' VAL . 92.9 t -60.9 -41.29 88.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 120.722 0.296 . . . . 0.12 110.256 176.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.0 -42.3 98.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.217 -0.447 . . . . 0.14 110.885 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.04 -42.58 96.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.133 -0.485 . . . . 0.16 110.336 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.411 ' HA ' ' HG ' ' A' ' 113' ' ' SER . 83.2 mt -63.23 -43.24 98.61 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 116.466 -0.334 . . . . 0.16 111.332 -178.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.76 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.13 -39.31 96.14 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.377 -0.689 . . . . 0.23 111.377 -176.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 93.3 p -83.56 -22.03 32.49 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 111.733 0.271 . . . . 0.28 111.733 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.411 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 97.1 p -94.42 166.32 12.12 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.909 0.385 . . . . 0.14 110.82 -176.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 50.7 m -98.65 137.64 36.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.582 -177.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.37 119.25 45.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.341 -0.391 . . . . 0.13 110.454 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.87 -125.24 5.32 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.63 135.52 39.32 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.185 -0.302 . . . . 2.06 110.185 175.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -95.91 124.07 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-N 116.438 -0.347 . . . . 1.21 110.549 -177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -80.09 97.18 6.74 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.992 -0.549 . . . . 0.67 109.832 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -40.33 90.32 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.905 -0.589 . . . . 1.26 111.257 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.44 -34.87 90.44 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.726 -0.55 . . . . 0.21 111.726 -176.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.67 -5.42 47.86 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 112.262 0.468 . . . . 0.18 112.262 -176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.05 -35.63 69.56 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.771 0.32 . . . . 0.17 110.984 -178.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.32 -35.81 82.13 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.206 -0.452 . . . . 0.19 110.923 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.99 -43.59 92.11 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.911 0.386 . . . . 1.12 110.519 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -63.98 -31.89 73.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.177 -0.465 . . . . 1.22 110.962 177.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.547 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.5 m -60.0 -40.16 88.23 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.437 -0.347 . . . . 0.21 110.421 173.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -63.87 -34.25 77.53 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.974 -0.557 . . . . 1.64 110.953 176.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.0 mtp -61.25 -48.27 82.2 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.659 0.266 . . . . 0.44 110.806 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.682 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.9 t -65.54 -46.52 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.789 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.462 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -57.62 -40.44 92.56 Favored Glycine 0 CA--C 1.533 1.195 0 N-CA-C 111.108 -0.797 . . . . 0.18 111.108 178.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.92 -43.43 98.81 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.604 0.24 . . . . 1.21 110.95 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.2 p -62.87 -37.17 85.8 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.317 -0.401 . . . . 0.24 111.147 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.783 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.1 t -64.17 -49.2 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.511 -0.313 . . . . 0.23 110.482 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.475 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.82 -49.72 73.81 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.392 -0.367 . . . . 0.27 111.05 -175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.04 -39.45 83.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.159 -0.473 . . . . 2.28 111.156 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.518 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.5 -43.21 90.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.435 -0.348 . . . . 0.36 111.443 -173.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp -97.67 -8.21 29.27 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.192 0.441 . . . . 0.87 112.192 -175.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.48 -36.24 68.38 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 120.594 0.235 . . . . 1.16 110.602 177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.771 0 CA-C-O 118.032 -1.427 . . . . 2.62 110.929 179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.41 -0.589 . . . . 33.16 109.41 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.81 154.82 40.97 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.14 -0.482 . . . . 32.82 110.595 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.2 m -119.46 147.4 44.46 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.252 -0.431 . . . . 32.83 110.475 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.9 mtt -65.16 -37.31 86.98 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.195 -0.457 . . . . 34.46 110.806 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -130.09 138.3 50.64 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.247 -0.433 . . . . 31.75 110.493 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -75.04 134.19 16.52 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.809 -0.916 . . . . 30.32 110.809 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 -157.91 42.14 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.798 -0.921 . . . . 29.16 110.798 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -139.74 155.43 47.34 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.643 0.259 . . . . 29.37 110.642 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -126.48 126.41 43.7 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.175 -0.466 . . . . 29.22 110.357 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.8 mmm -65.83 -38.86 90.04 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.31 -0.405 . . . . 27.3 110.739 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 70.56 34.21 67.56 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 111.052 -0.819 . . . . 26.28 111.052 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -64.96 -39.86 94.14 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.719 0.295 . . . . 27.96 110.772 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.55 36.16 54.64 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.935 -0.866 . . . . 25.39 110.935 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -65.83 -33.48 75.94 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.471 0.176 . . . . 25.26 110.923 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.1 mtm -96.15 141.55 29.38 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.431 -0.349 . . . . 25.89 110.59 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.5 95.22 0.1 OUTLIER Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.967 -0.853 . . . . 24.22 110.967 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.13 144.09 32.04 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.623 0.249 . . . . 23.68 110.55 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -147.01 154.11 40.84 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.168 -0.469 . . . . 22.43 110.611 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 t -64.83 -37.15 86.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.288 -0.414 . . . . 21.41 110.836 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.45 149.09 27.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.197 -0.456 . . . . 20.15 110.616 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.94 147.28 32.46 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 116.222 -0.444 . . . . 19.42 110.516 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 12.4 p -133.07 138.88 50.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.25 -0.432 . . . . 18.26 110.4 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 80.2 p 52.17 -87.3 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.964 -0.562 . . . . 17.23 112.003 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 27.4 m -125.03 30.57 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 120.636 0.255 . . . . 16.38 110.946 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.79 -151.29 37.29 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.866 -0.893 . . . . 14.42 110.866 -178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 174.87 112.55 0.3 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.987 -0.845 . . . . 12.9 110.987 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -67.68 -36.97 81.67 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.62 0.248 . . . . 12.61 110.716 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.69 160.36 27.39 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.85 -29.91 41.15 Favored 'Trans proline' 0 N--CA 1.497 1.697 0 C-N-CA 121.706 1.604 . . . . 7.53 112.157 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -89.93 138.5 31.44 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.304 -0.407 . . . . 8.51 110.447 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.1 t -99.65 154.97 17.86 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.127 -0.488 . . . . 5.0 110.56 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.8 p -67.23 176.29 2.29 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.19 -0.459 . . . . 3.86 110.628 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 83.7 p -65.71 156.78 31.96 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.274 -0.421 . . . . 1.67 110.749 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.678 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.12 -59.66 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.2 -0.454 . . . . 0.47 111.038 -178.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.2 Cg_endo -55.72 -20.97 30.17 Favored 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 121.677 1.584 . . . . 0.44 112.724 -176.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.589 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.65 -49.52 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.155 -0.313 . . . . 0.32 110.155 176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.783 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.83 -36.41 82.29 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.21 -0.45 . . . . 0.24 110.756 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 80.7 p -62.21 -40.9 97.63 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.81 -179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.07 -40.34 90.82 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.482 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.87 88.93 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.18 110.854 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.47 -38.6 84.66 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.139 -0.482 . . . . 0.17 110.597 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 31.4 m -62.38 -48.25 80.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.311 -0.404 . . . . 1.26 111.028 -177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -75.93 -22.04 56.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.81 -0.356 . . . . 2.91 111.483 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.725 HD22 HD12 ' B' ' 100' ' ' LEU . 10.8 tp -62.17 -33.03 73.75 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 110.349 -0.241 . . . . 0.16 110.349 171.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.0 -4.46 47.18 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 111.954 0.353 . . . . 1.35 111.954 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 74.9 p -66.21 152.39 94.18 Favored Pre-proline 0 CA--C 1.532 0.273 0 C-N-CA 121.185 -0.206 . . . . 0.25 110.714 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.97 -31.88 96.47 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.763 1.642 . . . . 0.58 112.077 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -40.39 96.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.647 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.552 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.91 -44.7 84.41 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.161 -0.472 . . . . 0.29 110.756 -179.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -59.13 -40.82 86.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.429 -0.35 . . . . 1.2 110.952 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.4 m -62.6 -40.42 96.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.153 -0.476 . . . . 1.37 110.717 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.728 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.1 mtm-85 -64.46 -34.38 78.07 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.182 -0.463 . . . . 1.87 110.877 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.552 HG23 ' O ' ' B' ' 49' ' ' ALA . 49.3 t -61.73 -47.62 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 110.053 -0.351 . . . . 0.21 110.053 177.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 78.6 p -59.3 -42.83 92.25 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.38 -0.373 . . . . 1.19 110.712 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.14 -38.08 87.63 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.046 -0.525 . . . . 1.23 110.632 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -33.0 74.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.139 -0.482 . . . . 0.18 110.829 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.624 ' O ' HG23 ' B' ' 61' ' ' VAL . 36.4 t -63.35 -53.16 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.453 -0.339 . . . . 0.15 110.148 178.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -59.26 -38.63 80.57 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.394 -0.367 . . . . 0.95 111.034 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 50.7 m -64.98 -51.01 64.08 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.387 -0.37 . . . . 1.23 110.931 -177.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 74.0 mt -67.29 -39.79 86.01 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.501 -0.318 . . . . 0.21 110.961 -177.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 57' ' ' VAL . 96.4 t -65.39 -48.31 83.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.937 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -72.87 -43.44 62.53 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.504 -0.316 . . . . 1.31 111.189 -174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.1 m -76.43 -37.63 56.74 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.992 -177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.03 106.65 0.64 Allowed Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.15 -32.73 2.06 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 122.461 2.107 . . . . 0.3 114.18 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.76 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.2 p -125.13 31.13 5.68 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.655 0.264 . . . . 0.51 111.564 -172.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -96.63 141.82 29.43 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.531 -0.304 . . . . 0.56 110.667 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.06 -45.4 92.36 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.433 -0.349 . . . . 0.75 110.469 177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.78 -37.5 84.69 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.216 -0.447 . . . . 0.19 110.729 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.2 78.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.861 -178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 43.8 mt -63.81 -38.77 92.35 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.296 -0.411 . . . . 0.25 110.819 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.0 p -62.83 -41.64 99.4 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.521 -0.309 . . . . 0.18 110.828 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -64.34 -45.82 86.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.246 -0.434 . . . . 0.98 110.983 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.682 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.0 m -65.6 -47.88 74.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.255 -0.429 . . . . 0.29 110.782 -177.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.697 ' O ' HG23 ' B' ' 79' ' ' VAL . 83.3 mt -62.61 -45.23 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.518 -0.31 . . . . 1.01 110.822 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.9 p -61.31 -49.11 78.35 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.812 0.339 . . . . 1.25 110.818 -178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.9 m -63.19 -44.47 95.28 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.998 -0.547 . . . . 1.39 111.091 -177.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.77 ' O ' HG23 ' B' ' 82' ' ' VAL . 57.3 t -65.07 -43.31 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.743 -176.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.697 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.5 t -59.66 -42.14 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.641 0.257 . . . . 0.16 110.471 -179.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.98 -54.08 49.31 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.209 -0.451 . . . . 1.08 111.028 179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -64.55 -37.34 87.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.968 -0.56 . . . . 0.93 111.619 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.77 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.0 t -63.18 -37.52 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 121.133 -0.227 . . . . 0.22 110.401 178.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 22.7 t -65.71 -36.92 84.98 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.242 -0.435 . . . . 1.19 110.789 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.78 98.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.19 -0.459 . . . . 0.29 111.069 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.5 m -72.57 -36.33 68.17 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.282 -0.417 . . . . 0.27 110.616 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.502 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.13 71.56 1.43 Allowed Pre-proline 0 CA--C 1.535 0.375 0 CA-C-N 116.12 -0.491 . . . . 0.23 110.901 -174.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -78.09 -31.08 3.14 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 121.671 1.58 . . . . 0.19 112.032 168.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.38 -30.8 78.85 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.633 -0.587 . . . . 0.18 111.633 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' B' ' 86' ' ' ASN . 89.7 mt -79.23 153.52 29.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.71 0.29 . . . . 0.21 110.959 -177.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -67.33 165.46 16.35 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.037 -0.529 . . . . 0.19 110.701 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.72 -39.41 93.55 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 111.489 -0.645 . . . . 0.14 111.489 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.609 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.4 t -66.38 -37.64 85.73 Favored 'General case' 0 C--N 1.334 -0.089 0 C-N-CA 121.067 -0.253 . . . . 0.11 110.773 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -61.57 -37.06 82.48 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.653 -0.249 . . . . 0.15 110.871 178.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -63.1 -44.29 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.757 0.313 . . . . 0.15 110.174 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.0 tp -62.75 -42.45 99.68 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.117 -0.492 . . . . 0.18 110.696 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.619 ' O ' HD23 ' B' ' 100' ' ' LEU . 61.3 t -58.25 -51.24 73.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.005 -0.369 . . . . 0.13 110.005 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.513 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.0 tp60 -60.39 -43.6 96.49 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.819 -0.628 . . . . 1.11 111.207 -173.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.2 -39.18 93.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.249 -0.432 . . . . 0.1 110.873 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 100' ' ' LEU . 80.0 mt -67.69 -51.82 45.12 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.41 -0.359 . . . . 0.23 111.656 -172.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.725 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.97 64.01 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.923 -175.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -64.4 -31.81 73.17 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 121.042 -0.263 . . . . 1.1 110.808 174.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.2 t -68.67 -36.21 73.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.664 -0.495 . . . . 0.13 109.664 173.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.63 -41.34 89.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 116.276 -0.42 . . . . 0.09 109.927 178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.682 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.0 p -67.74 -38.4 83.45 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.281 -0.418 . . . . 0.27 111.214 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.4 98.93 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.805 0.336 . . . . 0.15 110.388 178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.8 mt -65.95 -35.76 81.48 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.014 -0.539 . . . . 0.11 110.939 179.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.7 t -61.04 -41.08 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -61.22 -42.13 98.06 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.294 -0.412 . . . . 0.14 110.848 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.27 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.131 -0.486 . . . . 0.16 110.22 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.438 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.5 mt -63.49 -43.07 98.32 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.399 -0.364 . . . . 0.16 111.27 -178.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.748 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.67 96.62 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.33 -0.708 . . . . 0.23 111.33 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 92.1 p -83.34 -22.51 32.84 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 111.621 0.23 . . . . 0.28 111.621 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.438 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 96.4 p -93.73 166.99 11.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.834 0.35 . . . . 0.14 110.922 -176.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.4 m -99.2 137.74 37.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.888 -0.596 . . . . 0.09 110.372 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.61 119.2 45.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.403 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.83 -125.22 5.31 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.668 -0.973 . . . . 0.3 110.668 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -97.72 135.66 39.19 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.113 -0.329 . . . . 2.06 110.113 175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.5 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.91 124.05 48.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.388 -0.369 . . . . 1.21 110.501 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -80.15 97.2 6.79 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.079 -0.509 . . . . 0.67 109.864 175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.99 -40.43 91.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.375 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.54 -34.83 90.19 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.631 -0.588 . . . . 0.21 111.631 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.78 -5.43 48.15 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.22 0.452 . . . . 0.18 112.22 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.92 -35.45 69.06 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.68 0.276 . . . . 0.17 111.053 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.58 -35.93 82.27 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 0.19 110.845 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.84 -43.32 93.43 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.369 -0.378 . . . . 1.12 110.609 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.67 -31.13 72.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.25 -0.432 . . . . 1.22 110.896 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.524 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.8 m -60.48 -39.82 89.03 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.474 -0.33 . . . . 0.21 110.334 173.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -64.27 -34.11 77.36 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.035 -0.53 . . . . 1.64 110.832 176.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 71.1 mtp -61.35 -48.05 83.06 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.64 0.257 . . . . 0.44 110.898 179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.703 HG21 ' HA ' ' A' ' 104' ' ' SER . 62.0 t -65.8 -46.59 88.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.375 -0.375 . . . . 0.16 110.683 -177.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.461 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -57.56 -40.43 92.42 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 111.175 -0.77 . . . . 0.18 111.175 177.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -62.9 -43.13 99.63 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.59 0.233 . . . . 1.21 110.945 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.0 p -63.23 -37.12 85.98 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.295 -0.411 . . . . 0.24 110.947 -177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.782 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.3 t -64.21 -49.25 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.471 -0.331 . . . . 0.24 110.418 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.477 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.69 -49.71 74.01 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.464 -0.335 . . . . 0.27 111.039 -175.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -68.2 -39.22 82.51 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.181 -0.463 . . . . 2.28 111.117 -177.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.528 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.61 -43.45 89.57 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.368 -0.378 . . . . 0.36 111.352 -173.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.739 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp -97.21 -8.92 28.79 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.134 0.42 . . . . 0.87 112.134 -175.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.477 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.95 -36.28 69.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.645 0.26 . . . . 1.16 110.668 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.697 0 CA-C-O 117.937 -1.48 . . . . 2.35 110.889 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.419 -0.585 . . . . 36.65 109.419 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.06 109.81 17.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.243 -0.435 . . . . 37.14 110.584 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 m -168.45 -51.2 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.144 -0.48 . . . . 36.26 110.571 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.3 ptp -142.48 169.13 18.15 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.111 -0.495 . . . . 36.12 110.505 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.7 p -65.56 -35.75 81.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.276 -0.42 . . . . 35.35 110.755 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 67.75 139.3 0.06 OUTLIER Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.036 -0.826 . . . . 34.84 111.036 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 34.56 0.26 Allowed Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.05 -0.82 . . . . 34.37 111.05 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -66.47 -37.49 85.23 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.659 0.266 . . . . 34.86 110.803 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -132.64 156.04 47.65 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.255 -0.429 . . . . 33.57 110.602 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 87.7 mtp -65.17 -35.34 80.78 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.205 -0.452 . . . . 32.05 110.83 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.81 -107.52 3.2 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.934 -0.866 . . . . 30.8 110.934 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -149.11 163.98 36.02 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.587 0.232 . . . . 30.94 110.761 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.48 -57.52 0.49 Allowed Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.928 -0.869 . . . . 29.08 110.928 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.5 m -65.12 -35.7 81.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.565 0.222 . . . . 27.99 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -98.32 149.4 22.66 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.318 -0.401 . . . . 27.87 110.518 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -140.79 172.6 23.57 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.905 -0.878 . . . . 26.05 110.905 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.0 32.13 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 120.716 0.293 . . . . 24.72 110.578 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -104.67 149.45 25.55 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.194 -0.457 . . . . 23.32 110.627 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 87.5 p -100.1 150.78 22.13 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.224 -0.444 . . . . 22.02 110.523 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.77 -44.96 72.6 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.212 -0.449 . . . . 21.23 110.709 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.21 159.34 28.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.278 -0.419 . . . . 19.47 110.639 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.0 132.94 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.209 -0.451 . . . . 17.85 110.036 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -144.56 149.91 36.62 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.2 -0.454 . . . . 14.96 110.638 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -112.69 133.24 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.231 -0.44 . . . . 14.71 110.075 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 175.25 -167.61 39.72 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.001 -0.84 . . . . 11.62 111.001 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.86 34.84 17.46 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.049 -0.821 . . . . 9.69 111.049 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -118.81 34.63 5.13 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.737 0.303 . . . . 14.31 110.513 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -61.41 140.96 47.69 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 111.095 -0.802 . . . . 7.32 111.095 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.01 171.61 17.82 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.745 1.63 . . . . 5.74 112.202 -172.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 60.32 48.15 8.28 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.063 0.459 . . . . 8.09 111.022 179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 t -84.41 143.52 29.38 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.944 -0.571 . . . . 3.07 110.499 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 m -115.86 45.49 1.71 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.108 0.48 . . . . 2.27 110.503 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.7 t -87.66 -34.86 18.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.898 -0.592 . . . . 0.79 110.72 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.687 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -64.45 -58.86 12.22 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.304 -0.407 . . . . 0.47 111.522 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 29.2 Cg_endo -59.51 -21.69 63.01 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.303 1.336 . . . . 0.44 112.628 -167.086 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.504 HG12 HD22 ' B' ' 95' ' ' LEU . 24.9 t -64.47 -50.95 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 110.158 -0.312 . . . . 0.31 110.158 177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.66 -35.14 79.92 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.301 -0.409 . . . . 0.24 110.71 178.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.7 -43.26 99.19 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.837 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.16 91.39 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.102 -0.499 . . . . 0.24 110.718 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.34 -38.9 92.97 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.22 -0.445 . . . . 0.18 111.08 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.13 81.16 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.246 -0.434 . . . . 0.17 110.822 178.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.0 m -63.31 -50.4 70.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.45 -0.341 . . . . 1.26 110.829 -177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -75.27 -22.83 57.5 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.409 -0.36 . . . . 2.91 111.459 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.478 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.7 tp -61.26 -32.19 72.01 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 110.286 -0.264 . . . . 0.16 110.286 168.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.0 m -75.87 -15.94 60.13 Favored 'General case' 0 CA--C 1.535 0.379 0 N-CA-C 111.792 0.293 . . . . 1.35 111.792 179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 55.4 p -64.03 152.16 88.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.283 -0.167 . . . . 0.25 111.013 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -55.13 -32.92 82.03 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 121.874 1.716 . . . . 0.57 112.365 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.03 98.94 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.348 -0.387 . . . . 0.41 110.682 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -45.51 80.17 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.087 -0.506 . . . . 0.29 110.754 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.5 p -59.28 -40.02 84.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.874 0.369 . . . . 1.2 111.137 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 m -63.06 -42.25 99.64 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.108 -0.496 . . . . 1.37 110.787 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.708 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -65.23 -33.02 75.0 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.336 -0.393 . . . . 1.87 111.123 178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.727 HG11 ' OG1' ' B' ' 127' ' ' THR . 61.0 t -61.65 -47.75 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 N-CA-C 110.064 -0.347 . . . . 0.21 110.064 177.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.1 p -60.14 -42.94 95.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.936 0.398 . . . . 1.19 110.703 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.7 m -61.7 -37.24 83.42 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.589 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.66 75.56 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.246 -0.434 . . . . 0.18 110.918 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.575 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.4 t -63.58 -52.18 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.416 -0.356 . . . . 0.15 110.175 178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.9 t -60.11 -39.13 85.15 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.09 -177.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.6 t -64.96 -51.82 59.67 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.878 -177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 79.9 mt -66.66 -40.08 88.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.418 -0.356 . . . . 0.21 110.981 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.94 -47.19 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 116.267 -0.424 . . . . 0.22 110.976 -175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.0 m -73.49 -43.14 60.82 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.587 -0.278 . . . . 1.31 111.168 -174.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.4 m -76.99 -38.17 53.67 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.535 -0.302 . . . . 0.24 110.999 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.62 109.22 0.71 Allowed Glycine 0 CA--C 1.532 1.133 0 N-CA-C 110.612 -0.995 . . . . 0.18 110.612 -177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -41.27 -32.17 1.11 Allowed 'Trans proline' 0 N--CA 1.499 1.823 0 C-N-CA 122.527 2.151 . . . . 0.3 114.202 177.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.866 HG21 ' CA ' ' B' ' 111' ' ' GLY . 23.9 p -126.6 32.47 5.15 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.63 0.252 . . . . 0.51 111.537 -175.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.486 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.3 t-20 -93.39 137.15 32.97 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.503 -0.317 . . . . 0.56 110.612 178.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.18 -43.17 99.43 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.795 0.331 . . . . 0.75 110.586 178.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.486 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.014 -0.539 . . . . 0.19 110.693 -178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.06 -43.69 82.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.292 -0.413 . . . . 0.21 110.783 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -62.96 -40.71 98.52 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.508 -0.315 . . . . 0.25 110.813 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.61 -42.18 99.43 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.381 -0.372 . . . . 0.18 110.98 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.0 -46.23 85.47 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.337 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.69 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.32 -47.06 77.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.271 -0.422 . . . . 0.29 110.858 -176.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' A' ' 79' ' ' VAL . 70.8 mt -63.12 -45.01 99.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.556 -0.293 . . . . 1.01 110.69 -177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.1 m -61.47 -49.32 77.25 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.871 0.367 . . . . 1.25 110.92 -178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.4 t -62.89 -46.22 88.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.969 -0.559 . . . . 1.39 111.136 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.772 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.9 t -62.67 -47.38 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 116.309 -0.405 . . . . 0.23 110.524 -176.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.5 t -58.01 -42.76 83.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-O 120.679 0.276 . . . . 0.16 110.471 -177.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.6 m -60.35 -50.14 74.8 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.242 -0.436 . . . . 1.08 111.247 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.67 -33.94 64.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.165 -0.471 . . . . 0.93 111.498 -174.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.32 -38.84 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 110.413 -0.218 . . . . 0.22 110.413 178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.459 ' HB3' HG11 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -65.8 -40.48 91.95 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.416 -0.356 . . . . 1.19 110.786 175.092 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.35 80.41 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.037 -0.529 . . . . 0.29 111.252 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.45 -37.62 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.27 110.365 177.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.635 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.6 m-20 -112.84 69.21 1.1 Allowed Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.992 -0.549 . . . . 0.23 110.982 -175.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.59 -33.1 5.48 Favored 'Trans proline' 0 N--CA 1.495 1.605 0 C-N-CA 121.713 1.609 . . . . 0.19 111.98 171.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.81 -29.92 76.58 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.498 -0.641 . . . . 0.18 111.498 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD12 ' HB3' ' A' ' 86' ' ' ASN . 28.9 mt -79.21 156.5 28.14 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.722 0.296 . . . . 0.21 110.722 -177.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -69.88 163.17 26.49 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.089 -0.505 . . . . 0.19 110.618 -176.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.85 -36.7 90.88 Favored Glycine 0 CA--C 1.528 0.896 0 N-CA-C 111.201 -0.76 . . . . 0.14 111.201 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.575 ' O ' HG23 ' A' ' 96' ' ' VAL . 6.5 t -66.75 -37.38 84.51 Favored 'General case' 0 N--CA 1.461 0.109 0 C-N-CA 121.015 -0.274 . . . . 0.11 110.639 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.555 ' OD2' HD22 ' A' ' 89' ' ' LEU . 26.7 m-20 -60.65 -36.54 78.93 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.525 -0.307 . . . . 0.15 110.887 176.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG11 ' HB3' ' A' ' 83' ' ' SER . 45.4 t -62.16 -45.47 98.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.23 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 22.6 tp -63.48 -41.16 98.59 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.937 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.7 t -60.56 -46.81 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.419 -0.355 . . . . 0.13 110.178 179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 43.8 tp60 -63.67 -43.34 97.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.944 -0.571 . . . . 1.11 111.259 -174.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.815 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.33 -42.83 92.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.32 -0.4 . . . . 0.1 111.002 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.1 mt -67.18 -50.66 60.19 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.929 -0.308 . . . . 0.23 111.651 -172.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.24 -29.63 65.35 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 120.087 -0.645 . . . . 0.48 110.584 -175.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.42 ' HG2' HD12 ' A' ' 44' ' ' LEU . 52.9 mt-10 -64.6 -32.56 74.26 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.055 -0.258 . . . . 1.1 110.684 175.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -66.54 -36.62 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.936 -0.394 . . . . 0.13 109.936 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -60.72 -43.84 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.329 -0.396 . . . . 0.09 110.057 178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.704 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.17 -39.75 93.34 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.168 -0.469 . . . . 0.27 111.326 -178.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.16 98.25 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.953 0.406 . . . . 0.15 110.486 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.503 ' HB2' HD13 ' B' ' 106' ' ' LEU . 51.0 mt -65.34 -35.17 80.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.894 -0.594 . . . . 0.11 111.169 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 103' ' ' VAL . 84.3 t -60.62 -42.38 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 N-CA-C 110.119 -0.326 . . . . 0.12 110.119 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.2 m -60.49 -40.7 92.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.14 110.918 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.497 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.4 mt -63.69 -43.77 98.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 116.176 -0.466 . . . . 0.16 110.494 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' B' ' 109' ' ' ILE . 85.9 mt -62.96 -44.94 94.69 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 116.493 -0.321 . . . . 0.16 111.36 -177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.08 -39.3 94.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.343 -0.703 . . . . 0.23 111.343 -176.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -77.07 -25.76 52.72 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 121.263 -0.175 . . . . 0.28 111.325 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 99.8 p -94.53 166.22 12.15 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.868 0.366 . . . . 0.14 110.889 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.4 m -100.08 141.37 32.99 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.802 -0.635 . . . . 0.09 110.281 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.82 126.52 50.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.338 . . . . 0.13 110.487 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.86 -125.06 5.51 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.754 -0.939 . . . . 0.3 110.754 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.41 125.22 45.07 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 110.301 -0.259 . . . . 2.06 110.301 177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.407 HG21 ' CG1' ' B' ' 57' ' ' VAL . 35.6 mm -77.39 125.72 37.35 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 CA-C-N 116.254 -0.43 . . . . 1.21 110.501 -178.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -84.74 89.06 7.43 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.605 -0.517 . . . . 0.67 109.605 173.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.93 -38.35 88.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.777 -0.647 . . . . 1.26 111.232 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.21 -34.21 88.95 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.585 -0.606 . . . . 0.21 111.585 -176.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.13 -1.72 37.37 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.302 0.482 . . . . 0.18 112.302 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.73 -36.19 71.72 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.715 0.293 . . . . 0.17 110.924 -178.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.88 -36.4 84.23 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.167 -0.469 . . . . 0.19 110.949 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -65.24 -44.06 89.41 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.302 -0.408 . . . . 1.12 110.551 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -63.86 -31.93 73.28 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.347 -0.388 . . . . 1.22 111.01 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.752 ' OG1' HG11 ' B' ' 53' ' ' VAL . 11.2 m -61.03 -40.14 92.49 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.4 -0.364 . . . . 0.21 110.47 174.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -63.43 -34.44 77.74 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.06 -0.518 . . . . 1.64 110.951 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.1 mtp -61.88 -48.29 81.16 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.652 -0.249 . . . . 0.44 110.87 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.686 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.7 t -65.25 -46.76 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.397 -0.365 . . . . 0.16 110.631 -178.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.448 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.49 -39.26 90.44 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 111.273 -0.731 . . . . 0.18 111.273 177.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -63.24 -44.51 94.99 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.615 0.245 . . . . 1.21 110.955 -179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 93.7 p -62.79 -35.6 80.39 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-N 116.349 -0.387 . . . . 0.24 111.138 -178.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.791 HG13 ' HB1' ' B' ' 37' ' ' ALA . 92.9 t -64.14 -50.37 77.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.489 -0.323 . . . . 0.23 110.511 178.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.8 -48.89 77.15 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.428 -0.351 . . . . 0.27 111.042 -175.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.92 -39.53 83.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.217 -0.447 . . . . 2.28 111.16 -177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.16 91.55 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.393 -0.367 . . . . 0.36 111.361 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.4 mp -95.78 -8.33 34.66 Favored 'General case' 0 CA--C 1.535 0.385 0 N-CA-C 112.065 0.394 . . . . 0.87 112.065 -176.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.42 -36.34 68.57 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.576 0.227 . . . . 1.16 110.519 178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.701 0 CA-C-O 117.953 -1.471 . . . . 2.62 110.919 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.381 -0.6 . . . . 33.16 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.86 154.2 41.71 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.255 -0.43 . . . . 32.82 110.56 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 7.6 m 59.24 104.54 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.239 -0.437 . . . . 32.83 111.076 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.6 mtt -91.81 140.45 29.67 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.209 -0.451 . . . . 34.46 110.551 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.1 m -65.83 -36.74 84.33 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.209 -0.451 . . . . 31.75 110.728 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.54 36.31 26.73 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.916 -0.874 . . . . 30.32 110.916 -179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.22 72.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.878 -0.889 . . . . 29.16 110.878 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -64.71 -37.06 86.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.647 0.26 . . . . 29.37 110.762 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -97.19 129.51 44.54 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.232 -0.44 . . . . 29.22 110.598 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.0 mtt -66.3 -37.09 84.58 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.305 -0.407 . . . . 27.3 110.7 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.06 -173.15 46.4 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.887 -0.885 . . . . 26.28 110.887 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 64.11 -74.62 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 122.274 0.23 . . . . 27.96 111.246 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.01 52.93 2.55 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.056 -0.818 . . . . 25.39 111.056 -179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.93 158.51 34.49 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.638 0.256 . . . . 25.26 110.676 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp -64.06 -35.45 80.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.26 -0.427 . . . . 25.89 110.924 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.05 -170.5 39.61 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.004 -0.838 . . . . 24.22 111.004 179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.52 149.03 48.67 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.689 0.28 . . . . 23.68 110.635 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -96.92 152.47 18.68 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.159 -0.473 . . . . 22.43 110.453 179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -63.36 -36.82 84.96 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.264 -0.425 . . . . 21.41 110.87 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.91 141.42 37.34 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.227 -0.442 . . . . 20.15 110.505 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.46 123.93 1.93 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.225 -0.443 . . . . 19.42 110.674 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -128.18 136.25 60.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.19 -0.459 . . . . 18.26 110.022 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 99.5 p -112.7 145.06 41.16 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.254 -0.43 . . . . 17.23 110.583 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -69.36 -38.58 77.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.187 -0.46 . . . . 16.38 110.21 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.83 35.91 23.64 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 111.012 -0.835 . . . . 14.42 111.012 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.24 -176.84 51.23 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.912 -0.875 . . . . 12.9 110.912 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -131.86 141.49 49.42 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.65 0.262 . . . . 12.61 110.476 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.13 155.51 16.06 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.932 -0.867 . . . . 8.77 110.932 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.98 -41.46 68.27 Favored 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 121.842 1.695 . . . . 7.53 112.293 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 58.37 33.44 23.13 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.258 -0.428 . . . . 8.51 111.061 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 2.8 p -124.84 139.25 54.01 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.193 -0.458 . . . . 5.0 110.525 -179.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.9 t -170.91 -67.45 0.02 OUTLIER 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.323 -0.399 . . . . 3.86 111.042 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 86.5 p -96.92 -40.28 8.97 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.446 -0.343 . . . . 1.67 111.227 -174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.691 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -64.07 -58.99 12.26 Favored Pre-proline 0 CA--C 1.533 0.324 0 CA-C-N 116.428 -0.351 . . . . 0.47 111.527 -175.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 28.4 Cg_endo -59.44 -21.8 63.09 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 121.35 1.366 . . . . 0.44 112.635 -167.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG12 HD22 ' A' ' 95' ' ' LEU . 25.1 t -64.5 -50.77 74.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 N-CA-C 110.169 -0.308 . . . . 0.32 110.169 177.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.791 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.87 -34.97 79.36 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.3 -0.409 . . . . 0.24 110.68 178.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -61.73 -43.29 99.14 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.356 . . . . 1.14 110.842 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -38.96 90.77 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.159 -0.473 . . . . 0.24 110.645 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -38.72 92.18 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.889 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.09 -37.14 80.87 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.793 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 50.7 m -63.31 -50.22 70.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.929 -177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -75.86 -22.02 56.62 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.423 -0.353 . . . . 2.91 111.49 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.9 tp -61.4 -32.71 72.65 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 110.169 -0.308 . . . . 0.16 110.169 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 49.9 m -75.51 -15.99 60.34 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.447 -0.342 . . . . 1.35 111.841 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 55.1 p -64.06 152.34 87.91 Favored Pre-proline 0 CA--C 1.535 0.38 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.929 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.22 -32.99 82.91 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.904 1.736 . . . . 0.58 112.301 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.98 98.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.74 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.604 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.33 -45.42 80.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.13 -0.486 . . . . 0.29 110.69 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -59.48 -40.03 85.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.02 -177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.9 m -63.06 -42.1 99.61 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.17 -0.468 . . . . 1.37 110.748 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.707 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -65.52 -32.87 74.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.273 -0.421 . . . . 1.87 111.032 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.752 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.2 t -61.71 -47.65 92.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 N-CA-C 110.111 -0.329 . . . . 0.21 110.111 177.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.26 -42.92 96.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.373 -0.376 . . . . 1.19 110.705 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.1 m -61.62 -37.06 82.56 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.687 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.0 -33.69 75.97 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.119 -0.491 . . . . 0.18 110.823 176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.8 t -63.37 -52.15 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.374 -0.375 . . . . 0.15 110.221 178.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.4 t -60.35 -39.03 85.69 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.37 -0.377 . . . . 0.95 111.053 -177.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 t -64.94 -51.76 60.07 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.925 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 79.8 mt -66.65 -40.15 88.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.406 -0.361 . . . . 0.21 110.971 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 82.3 t -65.93 -47.33 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.199 -0.455 . . . . 0.22 110.848 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -73.08 -43.42 61.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.649 -0.25 . . . . 1.31 111.197 -174.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 67.3 m -76.92 -38.24 53.82 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.44 -0.346 . . . . 0.24 110.934 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 109.04 0.7 Allowed Glycine 0 CA--C 1.532 1.107 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -41.08 -32.1 0.94 Allowed 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.536 2.157 . . . . 0.3 114.252 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 23.8 p -126.8 32.73 5.08 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.692 0.282 . . . . 0.51 111.473 -175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.475 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.4 t-20 -93.65 137.11 33.25 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.434 -0.348 . . . . 0.56 110.553 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -62.19 -43.14 99.49 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.469 -0.332 . . . . 0.75 110.574 178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.23 -37.69 86.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.483 . . . . 0.19 110.782 -178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.93 -43.61 82.82 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.197 -0.456 . . . . 0.21 110.838 -178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.3 mt -63.17 -40.52 97.78 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.738 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.9 p -62.82 -41.94 99.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.359 -0.382 . . . . 0.18 110.851 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -64.26 -46.37 84.01 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.204 -0.453 . . . . 0.98 111.126 -177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.8 m -65.27 -47.02 78.17 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.3 -0.409 . . . . 0.29 110.874 -176.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.673 ' O ' HG23 ' B' ' 79' ' ' VAL . 70.5 mt -63.2 -44.9 99.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.733 -177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.4 -49.44 76.88 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.784 0.326 . . . . 1.25 110.917 -178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.5 t -62.9 -46.32 88.38 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.048 -0.524 . . . . 1.39 111.065 -177.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.769 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.9 t -62.58 -47.5 92.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.338 -0.392 . . . . 0.23 110.494 -176.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.673 HG23 ' O ' ' B' ' 75' ' ' ILE . 89.8 t -57.9 -42.64 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 120.633 0.254 . . . . 0.16 110.556 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.2 m -60.49 -50.03 75.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.238 -0.437 . . . . 1.08 111.242 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -73.95 -33.6 63.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.261 -0.427 . . . . 0.93 111.437 -174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.769 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.1 t -63.56 -38.29 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 121.147 -0.221 . . . . 0.22 110.443 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.455 ' HB3' HG11 ' B' ' 94' ' ' VAL . 0.2 OUTLIER -66.53 -39.84 88.8 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.407 -0.361 . . . . 1.19 110.595 175.278 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.47 82.97 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.164 -0.471 . . . . 0.29 111.141 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.22 -36.95 63.98 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.451 177.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.65 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.9 m-20 -113.55 68.92 1.43 Allowed Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.075 -0.512 . . . . 0.23 110.859 -174.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.77 -33.01 5.26 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 121.653 1.568 . . . . 0.19 111.895 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.11 77.1 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' B' ' 86' ' ' ASN . 29.7 mt -78.9 156.17 28.73 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.716 0.293 . . . . 0.21 110.87 -177.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -69.48 162.97 26.36 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.19 110.794 -176.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.64 -36.72 90.65 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.363 -0.695 . . . . 0.14 111.363 -179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.577 ' O ' HG23 ' B' ' 96' ' ' VAL . 6.6 t -66.78 -37.35 84.4 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.6 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.558 ' OD2' HD22 ' B' ' 89' ' ' LEU . 24.0 m-20 -60.9 -36.33 78.97 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.565 -0.289 . . . . 0.15 110.737 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' B' ' 83' ' ' SER . 45.6 t -62.41 -45.14 99.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.39 -0.368 . . . . 0.15 110.227 177.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.602 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 22.9 tp -63.85 -40.98 97.85 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.859 -179.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.577 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.4 t -60.68 -46.63 95.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.454 -0.339 . . . . 0.13 110.205 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.586 ' HB3' HG11 ' B' ' 82' ' ' VAL . 43.7 tp60 -63.83 -43.05 97.35 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.936 -0.574 . . . . 1.11 111.269 -174.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.828 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.65 90.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 0.1 110.947 -178.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.8 mt -66.66 -52.2 47.6 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.525 -0.307 . . . . 0.23 111.491 -173.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.95 -29.79 67.01 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 120.355 -0.538 . . . . 0.48 110.932 -176.099 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.409 ' HG2' HD12 ' B' ' 44' ' ' LEU . 53.2 mt-10 -64.76 -32.25 73.85 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.677 0.275 . . . . 1.1 110.681 175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.828 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.96 -36.31 76.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 109.812 -0.44 . . . . 0.13 109.812 173.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.3 t -61.22 -43.61 96.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.859 -0.423 . . . . 0.09 109.859 178.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.686 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -65.36 -39.66 92.6 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.241 -0.436 . . . . 0.27 111.191 -178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -42.8 98.74 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.937 0.399 . . . . 0.15 110.452 178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' B' ' 109' ' ' ILE . 51.1 mt -65.71 -35.08 79.74 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.958 -0.565 . . . . 0.11 111.069 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 85.2 t -60.63 -42.15 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 110.168 -0.308 . . . . 0.12 110.168 176.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 8.5 m -60.87 -40.42 92.88 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.161 -0.472 . . . . 0.14 110.834 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 106' ' ' LEU . 68.5 mt -64.06 -43.42 97.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.194 -0.457 . . . . 0.16 110.406 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.417 HD22 ' CG2' ' A' ' 109' ' ' ILE . 85.3 mt -63.25 -44.77 94.23 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.423 -0.353 . . . . 0.16 111.328 -177.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.866 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -65.85 -39.77 95.21 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.241 -0.744 . . . . 0.23 111.241 -177.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.2 p -76.77 -26.24 54.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.463 0.173 . . . . 0.28 111.279 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 98.6 p -93.81 166.48 12.17 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 120.905 0.383 . . . . 0.14 110.984 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.8 m -100.37 141.36 33.32 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.84 -0.618 . . . . 0.09 110.292 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.4 mp -97.83 126.59 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.13 110.367 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -104.93 -125.1 5.52 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.74 -0.944 . . . . 0.3 110.74 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -99.27 125.17 44.84 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.356 -0.239 . . . . 2.06 110.356 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.414 HG21 ' CG1' ' A' ' 57' ' ' VAL . 36.1 mm -77.41 125.75 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.328 -0.397 . . . . 1.21 110.505 -178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -84.78 89.04 7.44 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 109.521 -0.548 . . . . 0.67 109.521 173.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.69 -38.59 89.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.789 -0.641 . . . . 1.26 111.298 -169.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.13 -34.21 89.08 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.565 -0.614 . . . . 0.21 111.565 -176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.17 -1.86 38.16 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.271 0.471 . . . . 0.18 112.271 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.55 -36.09 71.18 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.665 0.269 . . . . 0.17 110.979 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.09 -36.48 84.45 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.188 -0.46 . . . . 0.19 110.844 178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -65.06 -43.83 90.97 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.293 -0.412 . . . . 1.12 110.676 -179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -64.3 -31.6 72.87 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.282 -0.417 . . . . 1.22 110.873 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.727 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.6 m -61.38 -39.89 92.35 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.415 -0.357 . . . . 0.21 110.375 174.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -63.72 -34.4 77.79 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.815 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.7 mtp -61.88 -48.15 81.82 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.609 -0.269 . . . . 0.44 110.909 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.704 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.7 t -65.39 -46.95 88.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.49 -0.323 . . . . 0.16 110.598 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.452 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.32 -39.17 89.9 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 111.388 -0.685 . . . . 0.18 111.388 177.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -63.27 -44.22 95.71 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.64 0.257 . . . . 1.21 110.981 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 97.5 p -63.12 -35.67 81.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.247 -0.433 . . . . 0.24 110.968 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.788 HG13 ' HB1' ' A' ' 37' ' ' ALA . 92.1 t -64.1 -50.37 77.29 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.467 -0.333 . . . . 0.24 110.511 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.76 -48.82 77.51 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.402 -0.363 . . . . 0.27 111.06 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.05 -39.42 83.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.461 . . . . 2.28 111.144 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.31 91.09 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.333 -0.394 . . . . 0.36 111.371 -173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.752 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.4 mp -95.37 -8.99 34.11 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 112.054 0.39 . . . . 0.87 112.054 -176.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.93 -36.24 69.88 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.612 0.244 . . . . 1.16 110.654 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.75 0 CA-C-O 117.965 -1.464 . . . . 2.35 110.937 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mmm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.497 -0.557 . . . . 36.65 109.497 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.42 109.4 19.55 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.179 -0.464 . . . . 37.14 110.605 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m -66.3 -36.09 82.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.209 -0.45 . . . . 36.26 110.816 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.2 mtm -104.63 147.48 27.6 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.286 -0.415 . . . . 36.12 110.642 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.7 t -136.68 33.93 2.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.254 -0.43 . . . . 35.35 110.666 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 174.59 -174.77 46.73 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.974 -0.851 . . . . 34.84 110.974 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 125.32 1.0 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.021 -0.832 . . . . 34.37 111.021 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -116.88 147.97 41.7 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.618 0.247 . . . . 34.86 110.534 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.23 41.63 16.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.974 0.416 . . . . 33.57 110.875 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.9 mtt -117.5 155.63 29.41 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 32.05 110.534 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.21 35.66 33.39 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.987 -0.845 . . . . 30.8 110.987 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -81.62 142.97 32.28 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.63 0.253 . . . . 30.94 110.509 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 86.51 -171.06 43.18 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.975 -0.85 . . . . 29.08 110.975 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -65.21 -35.85 82.35 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.603 0.239 . . . . 27.99 110.804 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -126.34 156.47 40.4 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.251 -0.431 . . . . 27.87 110.525 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.77 -35.78 92.33 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.153 -0.779 . . . . 26.05 111.153 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.27 156.12 42.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.649 0.261 . . . . 24.72 110.535 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.84 145.0 54.1 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.223 -0.444 . . . . 23.32 110.556 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.9 m -68.67 148.44 50.42 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 22.02 110.627 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.06 153.03 21.58 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.119 -0.491 . . . . 21.23 110.482 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.99 139.76 52.83 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.224 -0.444 . . . . 19.47 110.498 179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -123.64 132.27 71.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.251 -0.432 . . . . 17.85 110.127 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.6 t -151.72 145.75 25.26 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 14.96 110.524 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.83 128.99 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 14.71 110.092 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.71 -176.2 43.08 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 11.62 110.872 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.17 80.12 0.2 Allowed Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.107 -0.797 . . . . 9.69 111.107 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.41 -20.44 66.37 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 111.674 0.25 . . . . 14.31 111.674 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.33 171.06 3.01 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.179 -0.768 . . . . 7.32 111.179 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -79.68 175.18 10.86 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.911 1.741 . . . . 5.74 112.134 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -97.76 45.18 1.03 Allowed 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.045 0.45 . . . . 8.09 110.528 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.5 t -145.31 146.99 31.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.94 -0.573 . . . . 3.07 110.436 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.3 m -113.18 45.16 1.41 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.08 0.467 . . . . 2.27 110.406 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -67.2 -32.56 73.71 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.82 -0.627 . . . . 0.79 111.115 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -59.23 -59.05 15.11 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.424 -0.353 . . . . 0.47 111.549 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.451 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.8 Cg_endo -55.73 -21.31 31.68 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 121.503 1.469 . . . . 0.44 112.694 -177.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.569 HG12 HD22 ' B' ' 95' ' ' LEU . 21.8 t -64.26 -47.93 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 N-CA-C 110.226 -0.287 . . . . 0.31 110.226 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.06 -38.76 89.14 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.365 -0.38 . . . . 0.24 110.702 178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 m -60.19 -43.57 95.78 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.344 -0.389 . . . . 1.14 110.924 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.35 93.4 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.253 -0.431 . . . . 0.24 110.605 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.28 82.17 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.219 -0.446 . . . . 0.18 110.993 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.59 -39.54 88.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.228 -0.442 . . . . 0.17 110.683 178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -62.68 -49.48 74.93 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.38 -0.373 . . . . 1.26 110.976 -177.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.3 -22.9 57.36 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 120.778 -0.369 . . . . 2.91 111.38 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 100' ' ' LEU . 8.3 tp -62.82 -32.18 73.33 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.646 -0.252 . . . . 0.16 110.406 170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.8 m -78.07 -3.24 41.26 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 111.943 0.349 . . . . 1.35 111.943 178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.6 p -66.37 152.21 94.85 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 121.277 -0.169 . . . . 0.25 110.84 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.76 -31.19 94.55 Favored 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 121.822 1.682 . . . . 0.57 112.099 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.82 98.78 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.309 -0.405 . . . . 0.41 110.693 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -45.2 82.11 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.05 -0.523 . . . . 0.29 110.671 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.2 m -58.67 -41.69 86.75 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.853 0.359 . . . . 1.2 111.079 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.39 -41.49 98.69 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.122 -0.49 . . . . 1.37 110.826 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.651 ' NE ' HG22 ' A' ' 82' ' ' VAL . 65.4 mtm-85 -64.35 -33.53 76.06 Favored 'General case' 0 CA--C 1.528 0.135 0 CA-C-N 116.244 -0.435 . . . . 1.87 111.035 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 49' ' ' ALA . 46.0 t -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.939 -0.393 . . . . 0.21 109.939 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -58.31 -44.85 88.78 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.297 -0.411 . . . . 1.19 110.698 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.2 m -61.88 -37.51 84.86 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.934 -0.576 . . . . 1.23 110.636 179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.22 74.96 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.165 -0.47 . . . . 0.18 110.926 176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 53' ' ' VAL . 37.3 t -63.41 -52.31 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 110.191 -0.3 . . . . 0.15 110.191 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.22 -40.42 90.12 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.341 -0.39 . . . . 0.95 111.302 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.7 m -65.74 -51.04 62.4 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.332 -0.395 . . . . 1.23 111.055 -177.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.83 -40.79 88.09 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.473 -0.331 . . . . 0.21 111.011 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 57' ' ' VAL . 85.0 t -65.58 -46.77 88.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.211 -0.449 . . . . 0.22 110.972 -176.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.0 m -73.01 -43.23 62.35 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.626 -0.261 . . . . 1.31 111.165 -174.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.6 m -77.29 -38.02 51.6 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.488 -0.324 . . . . 0.24 111.028 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.98 106.24 0.56 Allowed Glycine 0 CA--C 1.532 1.12 0 N-CA-C 110.626 -0.99 . . . . 0.18 110.626 -177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -42.99 -31.85 2.46 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 122.477 2.118 . . . . 0.3 114.026 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.624 HG21 ' HA2' ' B' ' 111' ' ' GLY . 67.7 p -125.16 31.56 5.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.668 0.27 . . . . 0.51 111.543 -174.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -94.87 141.51 28.55 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.52 -0.309 . . . . 0.56 110.745 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.4 tp60 -63.11 -44.26 96.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.455 -0.339 . . . . 0.75 110.623 177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.03 89.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.21 -0.45 . . . . 0.19 110.819 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.67 -43.84 83.43 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.27 -0.423 . . . . 0.21 110.897 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.41 -40.32 96.88 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.47 -0.332 . . . . 0.25 110.824 -179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.44 -41.43 98.72 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.511 -0.313 . . . . 0.18 110.917 179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.44 -44.29 94.94 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.33 -0.395 . . . . 0.98 111.219 -178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.683 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.7 m -65.05 -47.17 78.31 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.864 -177.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 75.4 mt -62.94 -44.97 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.561 -0.29 . . . . 1.01 110.727 -177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -61.12 -50.54 72.81 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.822 0.344 . . . . 1.25 110.882 -177.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -62.84 -44.94 94.81 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.922 -0.581 . . . . 1.39 111.122 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -64.07 -46.39 93.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.345 -0.389 . . . . 0.23 110.652 -176.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 94.5 t -58.85 -42.42 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.66 0.267 . . . . 0.16 110.527 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m -60.69 -53.74 53.79 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.288 -0.415 . . . . 1.08 111.042 -179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.97 -36.54 82.42 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.979 -0.555 . . . . 0.93 111.388 -174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.6 t -62.77 -35.51 71.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 110.407 -0.219 . . . . 0.22 110.407 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.5 m -64.37 -38.81 92.35 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.316 -0.402 . . . . 1.19 110.746 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.63 98.37 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.134 -0.484 . . . . 0.29 111.204 -178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.46 -36.51 65.87 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 110.553 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.552 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.8 m-20 -112.32 71.71 1.16 Allowed Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 116.176 -0.465 . . . . 0.23 111.053 -174.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -78.4 -32.58 2.22 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 121.673 1.582 . . . . 0.19 112.033 168.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.7 -30.14 77.14 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.566 -0.613 . . . . 0.18 111.566 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.552 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.64 152.42 30.01 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.649 0.262 . . . . 0.21 110.828 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -67.72 164.13 20.06 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.117 -0.492 . . . . 0.19 110.791 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.93 -40.02 94.81 Favored Glycine 0 CA--C 1.528 0.88 0 N-CA-C 111.477 -0.649 . . . . 0.14 111.477 -177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.7 t -66.22 -36.5 83.19 Favored 'General case' 0 N--CA 1.462 0.173 0 C-N-CA 121.006 -0.278 . . . . 0.11 110.709 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.01 -37.89 84.15 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.884 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.4 t -62.57 -43.76 98.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 CA-C-N 116.339 -0.391 . . . . 0.15 110.459 178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 23.4 tp -62.9 -41.22 99.35 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.886 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.1 t -60.29 -45.57 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.407 -0.36 . . . . 0.13 110.213 179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.7 tp60 -64.56 -43.26 94.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 1.11 111.308 -174.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.0 -42.94 94.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.397 -0.365 . . . . 0.1 111.018 -179.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.495 HD22 ' CB ' ' B' ' 100' ' ' LEU . 84.5 mt -66.94 -50.57 61.94 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.567 -0.288 . . . . 0.23 111.668 -172.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.96 -29.62 65.68 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.185 -0.606 . . . . 0.48 110.588 -176.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.42 -32.47 74.11 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 120.637 0.256 . . . . 1.1 110.77 174.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.1 t -66.63 -36.77 78.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 109.892 -0.41 . . . . 0.13 109.892 173.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.584 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.3 t -61.0 -42.4 92.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.254 -0.43 . . . . 0.09 110.106 178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.728 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -66.37 -39.32 89.05 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.277 -0.42 . . . . 0.27 111.245 -178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.12 -43.56 98.69 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.986 0.422 . . . . 0.15 110.541 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HA ' HD12 ' A' ' 109' ' ' ILE . 55.5 mt -65.32 -35.41 80.91 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.929 -0.578 . . . . 0.11 111.096 179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.3 t -60.76 -41.31 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-O 120.722 0.296 . . . . 0.12 110.211 175.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 m -60.72 -40.47 92.46 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.213 -0.449 . . . . 0.14 110.895 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.506 HD12 ' HA ' ' A' ' 106' ' ' LEU . 65.9 mt -63.92 -43.15 97.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.139 -0.482 . . . . 0.16 110.414 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 82.4 mt -63.27 -44.2 95.78 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.49 -0.323 . . . . 0.16 111.331 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.626 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.69 -39.27 96.56 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.355 -0.698 . . . . 0.23 111.355 -177.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.19 -26.28 42.67 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.455 0.168 . . . . 0.28 111.455 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.6 p -94.6 166.22 12.13 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.883 0.373 . . . . 0.14 110.976 -175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 73.6 m -101.12 143.22 31.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.795 -0.639 . . . . 0.09 110.426 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.37 126.09 51.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.488 -0.324 . . . . 0.13 110.407 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.37 -125.96 5.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.787 -0.925 . . . . 0.3 110.787 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.42 124.56 39.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 110.388 -0.227 . . . . 2.06 110.388 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 33.3 mm -79.67 120.84 31.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 1.21 110.553 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -82.64 91.46 6.97 Favored 'General case' 0 C--O 1.232 0.152 0 N-CA-C 109.659 -0.497 . . . . 0.67 109.659 173.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.16 -40.88 90.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.86 -0.609 . . . . 1.26 111.166 -169.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.57 -35.11 90.76 Favored Glycine 0 CA--C 1.528 0.864 0 N-CA-C 111.621 -0.592 . . . . 0.21 111.621 -176.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.39 -6.33 51.17 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.197 0.443 . . . . 0.18 112.197 -176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.41 -35.9 70.64 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.764 0.316 . . . . 0.17 110.941 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.03 -35.63 81.79 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.176 -0.465 . . . . 0.19 110.927 178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -64.99 -43.27 93.12 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.352 -0.385 . . . . 1.12 110.463 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -63.95 -31.9 73.25 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.304 -0.407 . . . . 1.22 110.98 177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.5 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.9 m -60.55 -39.82 89.32 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.419 -0.355 . . . . 0.21 110.463 173.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.47 -35.33 80.1 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.054 -0.521 . . . . 1.64 110.904 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.9 mtp -60.33 -47.82 84.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.559 -0.292 . . . . 0.44 110.748 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.719 HG21 ' HA ' ' B' ' 104' ' ' SER . 67.5 t -64.81 -45.27 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-N 116.253 -0.431 . . . . 0.16 110.634 -178.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.428 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.83 -40.57 89.93 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 111.366 -0.694 . . . . 0.18 111.366 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -63.79 -42.85 97.65 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.682 0.277 . . . . 1.21 111.056 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.9 p -62.22 -38.49 89.38 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.343 -0.389 . . . . 0.24 111.137 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.75 HG13 ' HB1' ' B' ' 37' ' ' ALA . 93.8 t -65.27 -48.8 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.387 -0.37 . . . . 0.23 110.587 178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.29 -45.8 92.07 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.564 -0.289 . . . . 0.27 111.041 -175.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -68.74 -38.03 79.84 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.176 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.18 94.82 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.326 -0.397 . . . . 0.36 111.499 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.669 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.1 mm? -95.22 -8.22 36.77 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 111.97 0.359 . . . . 0.87 111.97 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.1 -36.27 66.74 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.534 0.207 . . . . 1.16 110.47 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.793 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.91 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.343 -0.614 . . . . 33.16 109.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.05 151.59 37.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.133 -0.485 . . . . 32.82 110.539 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.0 m -114.13 32.93 5.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.19 -0.459 . . . . 32.83 110.717 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 64.8 mtt -99.7 143.97 29.32 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.326 -0.397 . . . . 34.46 110.692 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 81.0 p -124.02 161.12 26.17 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.277 -0.419 . . . . 31.75 110.53 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.6 -40.56 96.07 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.099 -0.8 . . . . 30.32 111.099 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.0 -34.09 5.77 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.226 -0.75 . . . . 29.16 111.226 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -110.89 160.32 16.89 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.743 0.306 . . . . 29.37 110.532 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.42 131.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.167 -0.47 . . . . 29.22 110.857 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 87.9 mmm -85.83 140.42 30.44 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.091 -0.504 . . . . 27.3 110.599 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 144.08 -62.79 0.49 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.921 -0.872 . . . . 26.28 110.921 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -65.9 -35.97 82.12 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.671 0.272 . . . . 27.96 110.801 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.26 102.12 0.21 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.869 -0.892 . . . . 25.39 110.869 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 22.5 m -65.43 -36.18 83.17 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 120.688 0.28 . . . . 25.26 110.866 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.3 mtt -130.18 158.21 40.35 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.233 -0.439 . . . . 25.89 110.562 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.4 139.03 29.92 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.881 -0.888 . . . . 24.22 110.881 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.79 -36.38 80.36 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.535 0.207 . . . . 23.68 110.728 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -100.63 136.96 39.68 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.307 -0.406 . . . . 22.43 110.668 -179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.6 m -126.64 144.25 50.97 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.219 -0.446 . . . . 21.41 110.433 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.78 137.54 45.62 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.223 -0.444 . . . . 20.15 110.608 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.482 ' HB3' HG22 ' B' ' 24' ' ' VAL . . . -161.76 142.41 10.69 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.158 -0.474 . . . . 19.42 110.496 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 28.8 t -76.84 -36.85 26.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 CA-C-N 116.137 -0.483 . . . . 18.26 110.492 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 21.6 m -62.39 -39.09 92.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.312 -0.403 . . . . 17.23 111.248 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.482 HG22 ' HB3' ' B' ' 21' ' ' ALA . 26.9 m -68.51 -31.68 52.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 116.337 -0.392 . . . . 16.38 111.045 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.8 -170.31 43.27 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.996 -0.842 . . . . 14.42 110.996 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.41 -178.01 52.12 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.888 -0.885 . . . . 12.9 110.888 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -123.01 140.04 53.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.715 0.293 . . . . 12.61 110.528 -179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.58 167.07 5.5 Favored Glycine 0 CA--C 1.531 1.043 0 N-CA-C 110.983 -0.847 . . . . 8.77 110.983 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.39 146.87 88.19 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.889 1.726 . . . . 7.53 112.192 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.68 -36.33 83.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.177 -0.465 . . . . 8.51 110.749 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.8 m -119.25 149.83 41.11 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.23 -0.441 . . . . 5.0 110.544 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 23.2 m -64.09 -35.69 81.57 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.278 -0.419 . . . . 3.86 110.84 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.4 t -125.81 140.97 52.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.274 -0.421 . . . . 1.67 110.457 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -177.35 -59.6 0.0 OUTLIER Pre-proline 0 CA--C 1.537 0.445 0 CA-C-N 116.249 -0.432 . . . . 0.47 111.196 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.448 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.6 Cg_endo -55.48 -21.42 30.33 Favored 'Trans proline' 0 N--CA 1.501 1.912 0 C-N-CA 121.54 1.493 . . . . 0.44 112.665 -177.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.552 HG12 HD22 ' A' ' 95' ' ' LEU . 21.9 t -64.24 -47.89 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 110.195 -0.298 . . . . 0.32 110.195 177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.75 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -38.89 89.56 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.707 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -60.02 -43.63 95.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.299 -0.409 . . . . 1.14 110.922 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.05 93.13 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.16 -0.473 . . . . 0.24 110.582 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.94 -36.07 82.23 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.88 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.464 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -66.66 -39.6 88.27 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.231 -0.44 . . . . 0.17 110.72 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 43.2 m -62.79 -49.38 75.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.263 -0.426 . . . . 1.26 110.956 -177.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -75.37 -22.57 57.42 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 120.903 -0.319 . . . . 2.91 111.43 178.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.473 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.7 tp -63.02 -32.35 73.7 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 110.3 -0.259 . . . . 0.16 110.3 170.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 67.0 m -78.01 -3.12 40.45 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.934 0.346 . . . . 1.35 111.934 178.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.0 p -66.47 152.5 94.64 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 121.218 -0.193 . . . . 0.25 110.765 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.07 -31.06 94.89 Favored 'Trans proline' 0 N--CA 1.498 1.744 0 C-N-CA 121.81 1.673 . . . . 0.58 112.03 -178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -40.79 98.37 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.352 -0.385 . . . . 0.41 110.628 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.57 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.93 -45.17 82.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.151 -0.477 . . . . 0.29 110.745 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.6 m -58.73 -41.71 87.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.464 -0.335 . . . . 1.2 111.011 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -62.44 -41.41 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.179 -0.464 . . . . 1.37 110.764 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.669 ' NE ' HG22 ' B' ' 82' ' ' VAL . 65.5 mtm-85 -64.38 -33.51 76.03 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.135 -0.484 . . . . 1.87 111.012 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.57 HG23 ' O ' ' B' ' 49' ' ' ALA . 46.4 t -61.63 -45.42 98.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 109.947 -0.39 . . . . 0.21 109.947 176.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.35 -45.0 89.02 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.667 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.69 -37.32 83.68 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.012 -0.54 . . . . 1.23 110.717 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.14 74.88 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.164 -0.471 . . . . 0.18 110.865 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.559 HG23 ' O ' ' B' ' 53' ' ' VAL . 36.5 t -63.35 -52.1 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.478 -0.328 . . . . 0.15 110.334 178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.8 p -60.52 -40.39 91.27 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.305 -0.407 . . . . 0.95 111.163 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.5 m -65.73 -51.04 62.43 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.311 -0.404 . . . . 1.23 111.017 -176.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 78.0 mt -66.82 -40.74 88.11 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.995 -177.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 57' ' ' VAL . 84.1 t -65.63 -46.85 88.26 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.914 -176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 23.3 m -72.77 -43.44 62.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.178 -174.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -77.23 -38.03 52.08 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.371 -0.377 . . . . 0.24 110.965 -177.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.95 106.01 0.56 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.669 -0.972 . . . . 0.18 110.669 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -42.8 -31.8 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.91 0 C-N-CA 122.43 2.087 . . . . 0.3 114.124 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.626 HG21 ' HA2' ' A' ' 111' ' ' GLY . 67.3 p -125.25 31.88 5.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.588 0.232 . . . . 0.51 111.448 -174.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -95.24 141.47 28.8 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.513 -0.312 . . . . 0.56 110.684 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -63.03 -44.43 95.93 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.399 -0.364 . . . . 0.75 110.582 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.17 -40.04 90.21 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.195 -0.457 . . . . 0.19 110.912 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.75 83.53 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.25 -0.432 . . . . 0.21 110.886 -177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.53 -40.14 96.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.448 -0.342 . . . . 0.25 110.792 -178.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -62.77 -41.1 99.07 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.459 -0.337 . . . . 0.18 110.839 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -63.75 -44.36 93.72 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.244 -0.434 . . . . 0.98 111.072 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.6 m -65.01 -47.21 78.28 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.325 -0.398 . . . . 0.29 110.812 -177.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 75.6 mt -62.97 -44.94 99.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.528 -0.305 . . . . 1.01 110.696 -177.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.0 t -61.01 -50.57 72.85 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.749 0.309 . . . . 1.25 110.936 -177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.1 m -62.88 -44.88 94.93 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.034 -0.53 . . . . 1.39 111.131 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -64.19 -46.44 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.308 -0.405 . . . . 0.23 110.611 -176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.3 t -58.71 -42.3 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.592 0.234 . . . . 0.16 110.589 -178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -60.76 -53.85 52.37 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.232 -0.44 . . . . 1.08 111.106 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -66.91 -36.44 82.28 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.023 -0.535 . . . . 0.93 111.376 -174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.3 t -62.92 -35.1 69.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-O 120.609 0.242 . . . . 0.22 110.412 178.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -65.01 -38.29 90.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.27 -0.423 . . . . 1.19 110.613 174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.53 -41.82 99.12 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.14 -0.482 . . . . 0.29 111.061 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.08 -36.01 66.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.651 179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.574 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.04 71.44 1.36 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 116.148 -0.478 . . . . 0.23 110.913 -174.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -78.34 -32.62 2.24 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.599 1.533 . . . . 0.19 111.974 168.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.66 -30.32 77.6 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.574 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.42 152.31 30.4 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 120.758 0.313 . . . . 0.21 110.905 -177.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.5 164.07 19.69 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.077 -0.51 . . . . 0.19 110.756 -178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -40.17 94.68 Favored Glycine 0 CA--C 1.528 0.906 0 N-CA-C 111.522 -0.631 . . . . 0.14 111.522 -177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.587 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.8 t -66.14 -36.55 83.42 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 121.058 -0.257 . . . . 0.11 110.64 -179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.25 -37.47 83.21 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.537 -0.301 . . . . 0.15 110.791 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.1 t -62.95 -43.47 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.408 -0.36 . . . . 0.15 110.364 178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.58 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 23.6 tp -63.2 -41.09 99.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.209 -0.451 . . . . 0.18 110.727 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.587 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.55 -45.22 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.155 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.538 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.8 tp60 -64.78 -43.19 94.03 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.982 -0.553 . . . . 1.11 111.173 -174.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -42.79 92.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.1 110.929 -179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.49 HD22 ' CB ' ' A' ' 100' ' ' LEU . 85.0 mt -66.45 -52.04 50.47 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.518 -0.31 . . . . 0.23 111.491 -172.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.538 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.68 -29.68 67.18 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.376 -0.53 . . . . 0.48 110.876 -176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.67 -32.28 73.87 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.64 0.257 . . . . 1.1 110.678 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.05 -36.34 76.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 109.782 -0.451 . . . . 0.13 109.782 173.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.575 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.8 t -61.67 -42.05 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.97 178.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.719 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -66.49 -39.19 88.6 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.291 -0.413 . . . . 0.27 111.258 -178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.32 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.856 0.36 . . . . 0.15 110.446 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' B' ' 109' ' ' ILE . 55.2 mt -65.73 -35.15 79.92 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.997 -0.547 . . . . 0.11 110.976 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 103' ' ' VAL . 94.5 t -61.11 -40.97 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 N-CA-C 110.106 -0.331 . . . . 0.12 110.106 176.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 13.7 m -61.06 -40.19 92.69 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.14 110.81 178.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.5 mt -64.25 -42.79 96.54 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.193 -0.458 . . . . 0.16 110.38 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.53 -44.09 95.24 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.372 -0.376 . . . . 0.16 111.29 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.624 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.54 -39.67 97.01 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.24 -0.744 . . . . 0.23 111.24 -177.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.0 -26.66 43.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.439 0.161 . . . . 0.28 111.42 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 91.1 p -93.91 166.72 12.04 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.902 0.382 . . . . 0.14 111.046 -175.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 73.9 m -101.63 143.26 31.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.838 -0.619 . . . . 0.09 110.303 -178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.4 126.14 51.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.462 -0.336 . . . . 0.13 110.381 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -105.31 -126.01 5.66 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -95.4 124.58 39.5 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 120.634 0.254 . . . . 2.06 110.389 177.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 33.1 mm -79.57 120.73 31.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-N 116.25 -0.432 . . . . 1.21 110.589 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -82.61 91.43 6.95 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.651 -0.5 . . . . 0.67 109.651 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.93 -40.98 91.9 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.841 -0.618 . . . . 1.26 111.307 -169.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.64 -35.06 90.61 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.582 -0.607 . . . . 0.21 111.582 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.33 -6.55 52.06 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 112.143 0.423 . . . . 0.18 112.143 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.5 p -57.09 -35.79 69.82 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.71 0.29 . . . . 0.17 111.068 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.31 -35.69 81.78 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.104 -0.498 . . . . 0.19 110.83 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -64.89 -42.94 94.37 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.351 -0.386 . . . . 1.12 110.592 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -64.57 -31.31 72.47 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.342 -0.39 . . . . 1.22 110.888 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.496 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.7 m -61.09 -39.41 89.83 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.414 -0.357 . . . . 0.21 110.382 173.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.81 -35.35 80.33 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 116.066 -0.515 . . . . 1.64 110.719 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 55.2 mtp -60.26 -47.62 85.21 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.58 -0.282 . . . . 0.44 110.866 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.728 HG21 ' HA ' ' A' ' 104' ' ' SER . 67.4 t -64.92 -45.44 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.304 -0.407 . . . . 0.16 110.597 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.418 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -40.61 88.83 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 111.407 -0.677 . . . . 0.18 111.407 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -63.78 -42.6 97.74 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.632 0.253 . . . . 1.21 111.056 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 81.0 p -62.53 -38.4 89.85 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.315 -0.402 . . . . 0.24 110.95 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.735 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.1 t -65.36 -48.88 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.434 -0.348 . . . . 0.24 110.453 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.19 -45.7 92.25 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.519 -0.31 . . . . 0.27 111.013 -175.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.05 -37.84 78.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 2.28 111.088 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.56 -43.52 93.65 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.371 -0.377 . . . . 0.36 111.324 -173.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.679 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.1 mm? -94.74 -8.92 36.23 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 111.942 0.349 . . . . 0.87 111.942 -178.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.52 -36.23 68.27 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.665 0.269 . . . . 1.16 110.69 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.728 0 CA-C-O 117.969 -1.462 . . . . 2.35 110.986 179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ttt . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.326 -0.62 . . . . 36.65 109.326 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.87 -59.31 0.4 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.166 -0.47 . . . . 37.14 110.531 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.6 t 58.5 94.71 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.282 -0.417 . . . . 36.26 111.061 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 87.6 mtp -95.42 127.28 41.34 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.161 -0.472 . . . . 36.12 110.571 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -67.43 -38.74 85.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.167 -0.47 . . . . 35.35 110.542 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.04 34.54 46.89 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.021 -0.832 . . . . 34.84 111.021 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.0 -179.49 35.51 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.906 -0.878 . . . . 34.37 110.906 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -114.66 137.01 52.42 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.705 0.288 . . . . 34.86 110.51 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -132.37 120.01 21.47 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 33.57 110.484 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 47.7 ttp -67.38 -37.14 82.68 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.219 -0.446 . . . . 32.05 110.578 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.58 -172.83 45.82 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.938 -0.865 . . . . 30.8 110.938 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -111.29 129.71 55.9 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 30.94 110.496 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.91 -40.3 95.35 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.277 -0.729 . . . . 29.08 111.277 -178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.0 t -142.65 148.58 37.64 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.667 0.27 . . . . 27.99 110.629 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.84 153.54 21.21 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.18 -0.464 . . . . 27.87 110.583 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.71 171.19 40.61 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.979 -0.848 . . . . 26.05 110.979 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.39 154.03 37.04 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.615 0.245 . . . . 24.72 110.58 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.81 153.91 38.78 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.215 -0.448 . . . . 23.32 110.562 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.0 m -120.98 144.94 48.24 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.496 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.05 153.77 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.203 -0.453 . . . . 21.23 111.083 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.07 90.52 4.91 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.428 . . . . 19.47 110.57 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -131.76 129.99 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.18 -0.464 . . . . 17.85 110.038 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -137.54 147.77 45.41 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.194 -0.457 . . . . 14.96 110.609 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.5 t -125.12 134.04 67.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.206 -0.452 . . . . 14.71 109.989 178.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 174.97 -162.95 32.95 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.989 -0.845 . . . . 11.62 110.989 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.91 34.99 13.53 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.076 -0.81 . . . . 9.69 111.076 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -111.78 30.77 6.71 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.589 0.233 . . . . 14.31 110.863 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.52 67.72 1.61 Allowed Glycine 0 CA--C 1.531 1.071 0 N-CA-C 110.94 -0.864 . . . . 7.32 110.94 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -69.0 153.83 71.76 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 121.722 1.615 . . . . 5.74 112.063 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 59.9 47.71 9.7 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 121.1 0.476 . . . . 8.09 110.962 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.9 t -104.14 142.84 33.79 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.919 -0.582 . . . . 3.07 110.558 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.6 t -108.04 49.45 0.81 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.17 0.51 . . . . 2.27 110.469 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -75.99 -34.6 59.76 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.959 -0.564 . . . . 0.79 111.122 -179.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.681 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.68 -59.09 12.52 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.565 -0.289 . . . . 0.47 111.535 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 28.3 Cg_endo -59.65 -24.55 75.81 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 C-N-CA 121.38 1.387 . . . . 0.44 112.582 -167.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG12 HD22 ' B' ' 95' ' ' LEU . 22.4 t -64.89 -48.85 82.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 110.176 -0.305 . . . . 0.31 110.176 177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.788 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.65 -35.31 80.42 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.251 -0.431 . . . . 0.24 110.708 178.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -61.81 -44.55 96.64 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.431 -0.349 . . . . 1.14 110.833 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.21 -39.44 92.81 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.711 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.77 95.63 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.272 -0.422 . . . . 0.18 111.048 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.84 -36.48 80.42 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.218 -0.447 . . . . 0.17 110.762 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -62.75 -49.3 75.56 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.389 -0.369 . . . . 1.26 110.892 -177.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -75.56 -22.77 56.72 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.473 -0.33 . . . . 2.91 111.608 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 3.9 tp -61.26 -32.44 72.26 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 110.497 -0.186 . . . . 0.16 110.497 170.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.8 p -77.3 -10.95 59.75 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 111.874 0.324 . . . . 1.35 111.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.1 p -65.15 152.25 91.96 Favored Pre-proline 0 CA--C 1.533 0.305 0 C-N-CA 121.294 -0.162 . . . . 0.25 110.855 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.17 -30.78 91.65 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.834 1.69 . . . . 0.57 112.176 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.39 98.85 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.354 -0.384 . . . . 0.41 110.71 178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.568 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.29 -46.64 76.25 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.761 -179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.79 -40.65 84.65 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.828 0.347 . . . . 1.2 111.07 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -62.47 -41.5 98.82 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.081 -0.508 . . . . 1.37 110.814 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.667 ' NE ' HG22 ' A' ' 82' ' ' VAL . 69.3 mtm-85 -64.75 -33.01 74.97 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.07 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.1 t -61.53 -47.72 92.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 110.043 -0.354 . . . . 0.21 110.043 177.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.08 -43.0 95.78 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.68 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.5 m -61.91 -37.38 84.41 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.037 -0.529 . . . . 1.23 110.72 178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.8 75.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.177 -0.465 . . . . 0.18 110.83 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.588 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.8 t -63.51 -52.18 61.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 N-CA-C 110.092 -0.336 . . . . 0.15 110.092 178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.7 t -59.14 -38.08 78.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.369 -0.378 . . . . 0.95 111.145 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.1 t -65.49 -52.89 49.56 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.365 -0.38 . . . . 1.23 110.866 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.51 -39.63 88.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.452 -0.34 . . . . 0.21 111.052 -177.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.3 t -65.81 -47.7 84.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.291 -0.413 . . . . 0.22 110.878 -176.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.4 m -72.16 -43.21 64.96 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.657 -0.247 . . . . 1.31 111.182 -174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 70' ' ' ALA . 67.6 m -77.14 -38.34 52.2 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.435 -0.348 . . . . 0.24 110.994 -177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.16 110.46 0.79 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 110.601 -0.999 . . . . 0.18 110.601 -177.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -41.86 -32.4 1.7 Allowed 'Trans proline' 0 N--CA 1.5 1.89 0 C-N-CA 122.465 2.11 . . . . 0.3 114.147 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.87 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.8 p -124.84 31.81 5.58 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 121.076 -0.249 . . . . 0.51 111.586 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -95.36 134.99 37.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.718 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -62.96 -39.88 96.01 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.533 -0.303 . . . . 0.75 110.578 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.69 90.5 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.19 110.643 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.4 ' HB2' ' CB ' ' A' ' 63' ' ' SER . . . -65.51 -40.81 93.45 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.166 -0.47 . . . . 0.21 110.801 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -62.99 -43.27 99.26 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.375 -0.375 . . . . 0.25 110.725 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.7 p -60.52 -40.1 90.23 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.492 -0.322 . . . . 0.18 110.766 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.14 -43.22 98.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.176 -0.466 . . . . 0.98 111.175 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.652 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.4 m -65.96 -48.55 70.91 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.305 -0.407 . . . . 0.29 111.008 -176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.636 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.1 mm -62.5 -45.4 98.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-N 116.678 -0.237 . . . . 1.01 110.642 -177.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.92 -51.42 69.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.891 0.377 . . . . 1.25 110.958 -177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 m -63.23 -47.11 83.86 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.948 -0.569 . . . . 1.39 111.199 -176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.5 t -63.3 -47.81 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.315 -0.402 . . . . 0.23 110.614 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.5 t -59.03 -42.38 86.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.664 0.269 . . . . 0.16 110.547 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.52 -53.69 54.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 1.08 111.171 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.04 -33.99 74.49 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.059 -0.518 . . . . 0.93 111.349 -174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.4 t -62.89 -36.03 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 110.343 -0.243 . . . . 0.22 110.343 177.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.8 m -64.73 -38.84 92.34 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.327 -0.397 . . . . 1.19 110.807 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.81 98.1 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.129 -0.487 . . . . 0.29 111.208 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.9 -36.62 64.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.272 -0.422 . . . . 0.27 110.446 179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.564 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.7 m-20 -112.48 71.47 1.18 Allowed Pre-proline 0 CA--C 1.536 0.441 0 CA-C-N 116.21 -0.45 . . . . 0.23 111.025 -174.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.89 -32.42 2.64 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 121.595 1.53 . . . . 0.19 111.988 168.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.14 77.16 Favored Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.54 -0.624 . . . . 0.18 111.54 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.564 HD12 ' HB3' ' A' ' 86' ' ' ASN . 77.4 mt -79.5 153.52 29.51 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.697 0.284 . . . . 0.21 110.696 -177.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.2 163.78 21.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.062 -0.517 . . . . 0.19 110.675 -177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.34 -38.68 93.72 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.423 -0.671 . . . . 0.14 111.423 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.628 ' O ' HG23 ' A' ' 96' ' ' VAL . 7.9 t -66.71 -37.28 84.39 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 121.005 -0.278 . . . . 0.11 110.645 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -60.78 -36.77 79.82 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.704 0.287 . . . . 0.15 110.92 177.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 47.3 t -62.64 -46.12 97.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 116.354 -0.384 . . . . 0.15 110.239 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.727 HD11 ' HB2' ' B' ' 37' ' ' ALA . 14.1 tp -62.34 -41.9 98.95 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.132 -0.485 . . . . 0.18 110.842 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.5 t -58.51 -50.15 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.981 -0.378 . . . . 0.13 109.981 179.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.518 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.3 tp60 -60.02 -44.43 94.6 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.842 -0.617 . . . . 1.11 111.237 -173.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.778 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.0 -38.25 90.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.007 -0.542 . . . . 0.1 110.842 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' B' ' 100' ' ' LEU . 79.1 mt -68.05 -50.76 53.19 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 120.712 -0.395 . . . . 0.23 111.826 -173.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.09 -29.4 64.07 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 119.768 -0.773 . . . . 0.48 110.857 -175.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 44' ' ' LEU . 61.8 mt-10 -64.51 -33.11 75.14 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 121.084 -0.246 . . . . 1.1 110.772 176.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.778 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -68.68 -36.54 74.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 N-CA-C 109.854 -0.424 . . . . 0.13 109.854 173.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.492 HG13 HD11 ' B' ' 106' ' ' LEU . 29.5 t -59.84 -44.85 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 109.873 -0.417 . . . . 0.09 109.873 177.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.718 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -64.8 -40.37 95.11 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.354 -177.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.59 93.31 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.893 0.378 . . . . 0.15 110.486 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.555 HD13 ' HB2' ' B' ' 106' ' ' LEU . 36.8 mt -65.79 -36.25 83.0 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.947 -0.57 . . . . 0.11 111.173 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 103' ' ' VAL . 96.2 t -60.85 -41.77 89.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 N-CA-C 110.201 -0.296 . . . . 0.12 110.201 176.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.407 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 10.6 m -60.51 -42.37 96.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.241 -0.436 . . . . 0.14 110.877 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -63.97 -42.08 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.088 -0.505 . . . . 0.16 110.417 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.04 -44.7 95.17 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.424 -0.353 . . . . 0.16 111.344 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.837 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.3 -39.35 94.31 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.309 -0.717 . . . . 0.23 111.309 -176.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -79.3 -23.37 43.58 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 111.529 0.196 . . . . 0.28 111.529 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 91.0 p -94.58 166.24 12.13 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.817 0.341 . . . . 0.14 110.827 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 m -97.76 136.75 37.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.932 -0.577 . . . . 0.09 110.487 -177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mp -97.14 119.7 45.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.13 110.511 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.28 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.612 -0.995 . . . . 0.3 110.612 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -99.53 136.59 39.23 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 110.118 -0.327 . . . . 2.06 110.118 175.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.505 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.48 123.17 47.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 116.444 -0.343 . . . . 1.21 110.457 -177.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -79.09 97.95 6.33 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.027 -0.533 . . . . 0.67 109.819 174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.28 -41.1 90.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.906 -0.588 . . . . 1.26 111.255 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.11 -34.76 89.21 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.74 -0.544 . . . . 0.21 111.74 -176.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.02 -9.02 58.21 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.068 0.396 . . . . 0.18 112.068 -176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -56.63 -34.35 67.19 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.789 0.328 . . . . 0.17 111.165 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.32 87.06 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.183 -0.462 . . . . 0.19 111.025 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -64.99 -43.94 90.95 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.359 -0.382 . . . . 1.12 110.482 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.4 m-85 -63.74 -31.69 72.95 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.144 -0.48 . . . . 1.22 110.954 177.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.544 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.7 m -59.68 -40.6 88.39 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.876 0.37 . . . . 0.21 110.457 173.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.37 -35.8 81.6 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.899 -0.591 . . . . 1.64 110.959 176.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.2 -47.76 84.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.69 0.281 . . . . 0.44 110.832 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.717 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.2 t -65.83 -47.32 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.414 -0.357 . . . . 0.16 110.756 -177.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.454 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.03 -40.44 82.58 Favored Glycine 0 CA--C 1.532 1.1 0 N-CA-C 111.341 -0.704 . . . . 0.18 111.341 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.47 -41.21 96.63 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 121.307 -0.157 . . . . 1.21 111.036 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 54.6 p -61.88 -37.07 83.21 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.592 -0.277 . . . . 0.24 111.002 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.785 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 88.1 t -64.92 -51.61 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.376 -0.375 . . . . 0.23 110.511 178.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.8 -48.67 78.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.318 -0.401 . . . . 0.27 111.17 -174.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.15 -41.65 85.68 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.208 -0.451 . . . . 2.28 111.075 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.39 -43.08 91.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.374 -0.376 . . . . 0.36 111.439 -173.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.698 HD23 ' HA ' ' B' ' 34' ' ' ALA . 7.7 mp -95.09 -8.29 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.035 0.383 . . . . 0.87 112.035 -175.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.97 -36.26 69.78 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.634 0.254 . . . . 1.16 110.557 178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.777 0 CA-C-O 118.018 -1.435 . . . . 2.62 110.98 -179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.4 mtm . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.394 -0.595 . . . . 33.16 109.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.87 156.23 43.41 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.182 -0.463 . . . . 32.82 110.544 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -125.46 155.31 40.69 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.213 -0.449 . . . . 32.83 110.554 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.4 ttm -95.59 138.03 33.82 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.201 -0.454 . . . . 34.46 110.468 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.54 158.87 42.05 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.248 -0.433 . . . . 31.75 110.696 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -166.48 -137.68 2.27 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.957 -0.857 . . . . 30.32 110.957 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.61 161.64 24.52 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.921 -0.872 . . . . 29.16 110.921 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -67.03 -36.81 82.93 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.538 0.208 . . . . 29.37 110.718 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -64.91 -36.4 84.24 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.298 -0.41 . . . . 29.22 110.984 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.8 mtm -99.66 141.07 32.94 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.338 -0.392 . . . . 27.3 110.704 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.57 -172.71 43.13 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.959 -0.856 . . . . 26.28 110.959 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 28.6 mmm180 -68.58 143.44 54.88 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.638 0.256 . . . . 27.96 110.535 179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 73.86 37.59 50.68 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.868 -0.893 . . . . 25.39 110.868 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -115.31 149.95 37.04 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.668 0.27 . . . . 25.26 110.567 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.0 mtm -94.02 -178.38 4.62 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.181 -0.463 . . . . 25.89 110.57 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.44 35.89 6.08 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.057 -0.817 . . . . 24.22 111.057 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.05 152.4 40.06 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.586 0.231 . . . . 23.68 110.529 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -148.13 -57.45 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.29 -0.414 . . . . 22.43 110.664 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -65.77 -38.61 89.51 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.248 -0.433 . . . . 21.41 110.728 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.01 78.27 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.201 -0.454 . . . . 20.15 110.672 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.94 155.96 38.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.206 -0.452 . . . . 19.42 110.575 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -106.51 134.12 49.05 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-N 116.199 -0.455 . . . . 18.26 110.073 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 44.5 t -152.3 -49.1 0.11 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.193 -0.458 . . . . 17.23 110.604 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.14 133.63 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.293 -0.412 . . . . 16.38 110.081 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 155.44 -178.55 32.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.915 -0.874 . . . . 14.42 110.915 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 141.11 -51.26 0.71 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.003 -0.839 . . . . 12.9 111.003 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -129.04 138.95 52.2 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.631 0.253 . . . . 12.61 110.566 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.5 165.42 26.42 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.843 -0.903 . . . . 8.77 110.843 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.77 132.51 30.83 Favored 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 121.61 1.54 . . . . 7.53 111.992 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -66.92 -39.52 87.41 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.219 -0.446 . . . . 8.51 110.769 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.0 m -139.66 150.98 45.57 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.267 -0.424 . . . . 5.0 110.615 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 49.6 m -124.5 147.95 48.04 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.176 -0.466 . . . . 3.86 110.474 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 28.9 t -95.15 18.29 12.54 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.267 -0.424 . . . . 1.67 111.696 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.698 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -79.49 -59.22 0.6 Allowed Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 121.288 -0.165 . . . . 0.47 111.361 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 27.2 Cg_endo -59.4 -24.82 76.26 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 121.399 1.399 . . . . 0.44 112.48 -167.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.595 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t -64.77 -48.85 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 110.137 -0.32 . . . . 0.32 110.137 177.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.785 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.79 -35.13 79.83 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.189 -0.459 . . . . 0.24 110.73 178.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -61.99 -44.27 97.09 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.399 -0.364 . . . . 1.14 110.813 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.13 91.5 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.642 179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.48 -39.68 95.1 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.285 -0.416 . . . . 0.18 110.907 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.92 -36.52 80.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.156 -0.474 . . . . 0.17 110.704 178.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -62.8 -48.95 76.89 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.966 -177.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 19.5 ptt180 -76.46 -21.65 55.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 120.796 -0.362 . . . . 2.91 111.59 178.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.2 tp -61.57 -32.98 73.1 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 110.272 -0.27 . . . . 0.16 110.272 170.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 51.5 p -77.06 -10.93 59.7 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -65.1 152.5 91.29 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 121.282 -0.167 . . . . 0.25 110.841 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.43 -30.77 92.45 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.813 1.675 . . . . 0.58 112.099 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.45 98.91 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.304 -0.407 . . . . 0.41 110.685 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.561 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -46.56 76.64 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.106 -0.497 . . . . 0.29 110.75 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 15.3 m -58.96 -40.48 84.85 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.082 -177.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -62.59 -41.46 98.98 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.136 -0.484 . . . . 1.37 110.708 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.68 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.5 mtm-85 -64.86 -32.99 74.95 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.208 -0.451 . . . . 1.87 110.987 178.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.561 HG23 ' O ' ' B' ' 49' ' ' ALA . 59.9 t -61.63 -47.46 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 110.15 -0.315 . . . . 0.21 110.15 177.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 79.9 p -60.16 -43.11 96.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.319 -0.401 . . . . 1.19 110.704 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -61.93 -37.24 83.95 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.024 -0.534 . . . . 1.23 110.646 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.63 -33.8 75.76 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.156 -0.475 . . . . 0.18 110.779 177.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.2 t -63.33 -52.16 61.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.196 178.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 19.4 t -59.17 -38.3 79.44 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.389 -0.369 . . . . 0.95 111.113 -177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 39.3 t -65.21 -53.02 50.96 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.378 -0.373 . . . . 1.23 110.936 -178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 82.2 mt -66.44 -39.64 89.02 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.374 -0.375 . . . . 0.21 111.053 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 87.0 t -65.7 -47.92 84.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 CA-C-N 116.281 -0.418 . . . . 0.22 110.873 -176.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 21.8 m -71.91 -43.28 65.61 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.545 -0.298 . . . . 1.31 111.174 -174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.9 m -77.19 -38.32 51.75 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.892 -177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.05 110.18 0.78 Allowed Glycine 0 CA--C 1.533 1.176 0 N-CA-C 110.714 -0.954 . . . . 0.18 110.714 -177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_exo -41.64 -32.34 1.48 Allowed 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.436 2.09 . . . . 0.3 114.291 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.837 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.8 p -125.01 32.24 5.45 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.627 0.251 . . . . 0.51 111.482 -173.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -95.8 135.01 38.07 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.464 -0.335 . . . . 0.56 110.585 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.94 -39.96 96.2 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.471 -0.331 . . . . 0.75 110.535 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.75 90.84 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.19 110.647 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.37 -40.86 94.07 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.129 -0.487 . . . . 0.21 110.776 -179.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -63.08 -43.03 99.66 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.37 -0.377 . . . . 0.25 110.773 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.81 -39.76 90.18 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.434 -0.348 . . . . 0.18 110.771 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -63.44 -43.27 97.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.165 -0.47 . . . . 0.98 111.036 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.66 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.7 m -66.03 -48.57 70.66 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.258 -0.428 . . . . 0.29 110.906 -176.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.634 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.1 mm -62.4 -45.45 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 CA-C-N 116.688 -0.233 . . . . 1.01 110.644 -177.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.82 -51.46 69.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.737 0.304 . . . . 1.25 110.986 -177.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.2 m -63.34 -47.14 83.42 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.023 -0.535 . . . . 1.39 111.119 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.731 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.2 t -63.11 -48.04 89.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.346 -0.388 . . . . 0.23 110.587 -175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 75' ' ' ILE . 96.6 t -58.84 -42.3 85.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.62 -0.264 . . . . 0.16 110.601 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.2 m -60.67 -53.72 53.99 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.263 -0.426 . . . . 1.08 111.156 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.03 -33.76 74.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.191 -0.459 . . . . 0.93 111.423 -174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.5 t -63.12 -35.55 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 110.302 -0.259 . . . . 0.22 110.302 177.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 3.0 m -65.47 -38.31 89.4 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.605 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.14 -41.96 98.77 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.193 -0.458 . . . . 0.29 111.132 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.53 -36.15 65.66 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.6 179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.591 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.3 m-20 -113.14 71.15 1.39 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 116.13 -0.486 . . . . 0.23 110.904 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.78 -32.44 2.7 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.681 1.587 . . . . 0.19 111.992 169.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.8 -30.37 77.79 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.497 -0.641 . . . . 0.18 111.497 179.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' B' ' 86' ' ' ASN . 78.0 mt -79.17 153.42 30.06 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.717 0.294 . . . . 0.21 110.857 -177.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -68.02 163.7 21.72 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.795 -177.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.24 -38.76 93.69 Favored Glycine 0 CA--C 1.528 0.883 0 N-CA-C 111.379 -0.689 . . . . 0.14 111.379 -178.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.629 ' O ' HG23 ' B' ' 96' ' ' VAL . 7.9 t -66.69 -37.23 84.31 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.99 -0.284 . . . . 0.11 110.654 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -60.99 -36.62 79.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.807 177.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 47.2 t -62.79 -46.0 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.35 -0.386 . . . . 0.15 110.212 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.2 tp -62.39 -41.94 99.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.173 -0.467 . . . . 0.18 110.767 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.3 t -58.49 -50.18 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.364 -0.38 . . . . 0.13 110.043 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.497 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.1 tp60 -59.96 -44.28 94.52 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.856 -0.611 . . . . 1.11 111.247 -173.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.26 -38.17 90.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.1 110.718 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.8 mt -67.49 -52.06 43.74 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.459 -0.337 . . . . 0.23 111.624 -173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.54 -29.18 64.46 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 119.874 -0.73 . . . . 0.48 111.03 -175.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.412 ' HG2' HD12 ' B' ' 44' ' ' LEU . 61.9 mt-10 -64.67 -32.87 74.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 121.015 -0.274 . . . . 1.1 110.703 176.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.2 t -69.06 -36.33 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.694 -0.484 . . . . 0.13 109.694 174.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.491 HG13 HD11 ' A' ' 106' ' ' LEU . 30.3 t -60.13 -44.69 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.823 -0.436 . . . . 0.09 109.823 177.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.717 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.7 p -64.92 -40.28 94.8 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.072 -0.513 . . . . 0.27 111.314 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.24 93.09 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.859 0.362 . . . . 0.15 110.431 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' A' ' 106' ' ' LEU . 36.7 mt -66.32 -36.09 82.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.908 -0.587 . . . . 0.11 111.032 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 103' ' ' VAL . 97.3 t -60.99 -41.49 89.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 N-CA-C 110.203 -0.295 . . . . 0.12 110.203 176.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 11.1 m -60.87 -42.05 97.16 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.26 -0.427 . . . . 0.14 110.803 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.7 mt -64.34 -41.75 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.292 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.409 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 41.8 mt -63.31 -44.6 94.51 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.335 -0.393 . . . . 0.16 111.298 -177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.87 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.09 -39.73 94.8 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.282 -0.727 . . . . 0.23 111.282 -176.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 85.8 p -79.03 -23.89 44.0 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 121.343 -0.143 . . . . 0.28 111.365 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.409 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 91.9 p -93.77 166.81 12.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-O 120.838 0.351 . . . . 0.14 110.868 -177.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 49.1 m -98.29 136.72 38.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.925 -0.579 . . . . 0.09 110.459 -177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.19 119.72 45.6 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.48 -179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.26 -124.16 5.12 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.68 -0.968 . . . . 0.3 110.68 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.52 136.5 39.36 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 110.165 -0.309 . . . . 2.06 110.165 175.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.489 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.39 123.22 47.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.453 -0.339 . . . . 1.21 110.549 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -79.07 97.93 6.32 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.061 -0.518 . . . . 0.67 109.779 174.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -66.14 -41.24 90.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.943 -0.571 . . . . 1.26 111.316 -170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.03 -34.99 89.99 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 111.584 -0.606 . . . . 0.21 111.584 -176.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.8 -9.21 58.42 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.164 0.431 . . . . 0.18 112.164 -176.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.1 p -56.39 -34.27 66.56 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.633 0.254 . . . . 0.17 111.151 -177.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.35 -37.44 87.05 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.246 -0.434 . . . . 0.19 110.847 178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.89 -43.63 92.25 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.375 -0.375 . . . . 1.12 110.546 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . 0.407 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 92.7 m-85 -64.2 -31.36 72.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.219 -0.446 . . . . 1.22 110.934 177.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.538 ' OG1' HG11 ' A' ' 53' ' ' VAL . 8.2 m -59.99 -40.37 88.95 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.329 -0.396 . . . . 0.21 110.308 173.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.7 -35.72 81.48 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 115.972 -0.558 . . . . 1.64 110.753 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.4 mtp -60.17 -47.61 85.19 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.597 0.237 . . . . 0.44 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.718 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.7 t -66.12 -47.42 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.382 -0.372 . . . . 0.16 110.583 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.436 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -55.69 -40.54 79.84 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -64.5 -40.92 96.57 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.532 0.206 . . . . 1.21 111.033 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 55.9 p -62.18 -37.11 84.01 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.469 -0.332 . . . . 0.24 110.8 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.788 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -64.89 -51.72 63.18 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 CA-C-N 116.288 -0.414 . . . . 0.24 110.491 178.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.68 -48.57 78.73 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.27 111.207 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -67.48 -41.32 84.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.224 -0.444 . . . . 2.28 111.08 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.42 -43.38 90.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.334 -173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.681 HD23 ' HA ' ' A' ' 34' ' ' ALA . 7.7 mp -94.65 -9.02 36.24 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 111.996 0.369 . . . . 0.87 111.996 -175.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.51 -36.09 70.96 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.067 -0.253 . . . . 1.16 110.695 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.977 -1.457 . . . . 2.35 110.942 179.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.6 mtm . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 109.339 -0.615 . . . . 36.65 109.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.33 143.02 53.89 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.234 -0.439 . . . . 37.14 110.607 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 m -116.86 33.45 5.59 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.165 -0.471 . . . . 36.26 110.736 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mmm -95.28 143.05 26.98 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.307 -0.406 . . . . 36.12 110.518 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.42 161.17 25.3 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.202 -0.454 . . . . 35.35 110.443 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 130.38 141.97 5.05 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.931 -0.868 . . . . 34.84 110.931 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.98 -177.01 50.06 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.879 -0.888 . . . . 34.37 110.879 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.88 -35.93 82.71 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.615 0.245 . . . . 34.86 110.878 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -113.0 150.76 31.46 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.199 -0.455 . . . . 33.57 110.565 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.2 mtt -106.29 152.51 23.45 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.218 -0.447 . . . . 32.05 110.532 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.19 35.87 29.04 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.019 -0.832 . . . . 30.8 111.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -63.67 -37.4 87.21 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.612 0.244 . . . . 30.94 110.706 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -153.33 111.73 0.5 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.954 -0.858 . . . . 29.08 110.954 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.8 p -66.49 -33.96 76.85 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.517 0.199 . . . . 27.99 110.912 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.5 mtt -131.0 160.34 34.84 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.392 -0.367 . . . . 27.87 110.593 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -156.12 -115.07 0.49 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.971 -0.852 . . . . 26.05 110.971 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 59.74 96.35 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.643 0.259 . . . . 24.72 111.019 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.71 145.43 52.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.163 -0.471 . . . . 23.32 110.598 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 89.1 p -143.28 161.23 38.84 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.19 -0.459 . . . . 22.02 110.553 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.11 149.86 35.79 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.244 -0.435 . . . . 21.23 110.515 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.6 159.1 42.04 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.125 -0.489 . . . . 19.47 110.571 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -105.73 132.42 52.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 116.242 -0.435 . . . . 17.85 110.109 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -144.16 152.41 40.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.244 -0.435 . . . . 14.96 110.566 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -111.81 138.93 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.267 -0.424 . . . . 14.71 110.095 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.55 -171.1 31.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.885 -0.886 . . . . 11.62 110.885 -179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -148.41 -93.16 0.11 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.937 -0.865 . . . . 9.69 110.937 -179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -100.49 29.51 4.39 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 120.641 0.258 . . . . 14.31 111.017 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.3 149.38 0.48 Allowed Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.973 -0.851 . . . . 7.32 110.973 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.13 154.47 66.24 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 121.706 1.604 . . . . 5.74 112.099 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 60.18 47.66 9.11 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.222 -0.444 . . . . 8.09 110.973 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.5 t -116.85 140.48 49.39 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 115.959 -0.564 . . . . 3.07 110.492 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -134.05 45.42 2.63 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.09 0.472 . . . . 2.27 110.433 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.3 t -84.67 -33.61 23.19 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.873 -0.603 . . . . 0.79 110.865 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.706 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -62.97 -59.02 13.6 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.376 -0.374 . . . . 0.47 111.535 -178.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.449 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 27.7 Cg_endo -59.3 -23.02 68.04 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.401 1.401 . . . . 0.44 112.576 -168.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.524 HG12 HD22 ' B' ' 95' ' ' LEU . 24.4 t -64.1 -48.44 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-O 120.746 0.308 . . . . 0.31 110.229 177.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.776 ' HB1' ' CG1' ' B' ' 134' ' ' VAL . . . -65.5 -35.52 81.11 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.754 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.4 m -61.27 -43.64 98.54 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.337 -0.392 . . . . 1.14 110.855 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -39.71 92.33 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.24 110.652 178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.95 -38.48 91.25 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.222 -0.444 . . . . 0.18 110.997 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.53 80.53 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.17 110.751 178.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.6 t -62.63 -50.1 72.55 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.398 -0.364 . . . . 1.26 110.894 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -75.3 -22.84 57.4 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.468 -0.333 . . . . 2.91 111.472 178.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.463 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.0 tp -60.88 -32.16 71.62 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 110.398 -0.223 . . . . 0.16 110.398 168.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.3 t -75.87 -10.74 59.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 111.87 0.322 . . . . 1.35 111.87 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.64 152.19 93.19 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 121.183 -0.207 . . . . 0.25 110.88 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -55.97 -33.11 88.23 Favored 'Trans proline' 0 N--CA 1.5 1.859 0 C-N-CA 121.882 1.722 . . . . 0.57 112.325 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.51 97.88 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.302 -0.408 . . . . 0.41 110.768 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.08 -46.5 77.49 Favored 'General case' 0 CA--C 1.528 0.129 0 CA-C-N 116.101 -0.499 . . . . 0.29 110.71 -178.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.15 -40.85 86.79 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.46 -0.336 . . . . 1.2 111.094 -177.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.64 -41.53 99.09 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.129 -0.487 . . . . 1.37 110.745 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.8 -32.77 74.62 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.043 178.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 57' ' ' VAL . 54.9 t -61.39 -47.1 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 109.925 -0.398 . . . . 0.21 109.925 176.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.2 m -58.67 -44.65 90.27 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.764 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.3 m -62.02 -37.12 83.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.878 -0.601 . . . . 1.23 110.636 179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.99 -34.27 77.18 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.18 110.859 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 61' ' ' VAL . 23.9 t -63.39 -54.34 33.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.49 -0.323 . . . . 0.15 110.182 179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.1 t -59.78 -37.81 80.12 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.175 -0.466 . . . . 0.95 111.198 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.9 -51.09 63.79 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.395 -0.366 . . . . 1.23 111.005 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD21 HD23 ' A' ' 71' ' ' LEU . 45.9 mt -67.5 -40.39 85.18 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.431 -0.35 . . . . 0.21 110.874 -178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.3 t -65.28 -47.31 87.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 116.155 -0.475 . . . . 0.22 111.112 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.7 p -74.37 -43.14 57.77 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.523 -0.308 . . . . 1.31 111.193 -174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.3 m -74.82 -37.22 62.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.929 -177.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.73 107.37 0.61 Allowed Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.527 -1.029 . . . . 0.18 110.527 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.417 ' CG ' HD13 ' B' ' 115' ' ' ILE . 86.5 Cg_exo -40.85 -34.44 1.35 Allowed 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.585 2.19 . . . . 0.3 114.274 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.789 HG21 ' CA ' ' B' ' 111' ' ' GLY . 71.4 p -127.28 32.78 4.99 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.721 0.296 . . . . 0.51 111.477 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.494 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.2 t-20 -92.19 137.59 32.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.429 -0.351 . . . . 0.56 110.52 178.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -61.79 -42.45 99.02 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.52 -0.309 . . . . 0.75 110.511 177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -67.03 -39.03 86.92 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.697 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.43 -43.12 86.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.22 -0.445 . . . . 0.21 110.879 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 60' ' ' LEU . 48.6 mt -63.51 -40.59 97.44 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.426 -0.352 . . . . 0.25 110.874 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.5 p -62.23 -41.17 98.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.895 179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -63.57 -44.65 93.46 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.266 -0.425 . . . . 0.98 111.227 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.674 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.17 -46.48 80.63 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.213 -0.449 . . . . 0.29 110.869 -177.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.65 ' O ' HG23 ' A' ' 79' ' ' VAL . 69.5 mt -62.98 -45.52 98.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.609 -0.269 . . . . 1.01 110.648 -177.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.0 p -61.37 -49.48 76.76 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.884 0.373 . . . . 1.25 110.913 -177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -63.35 -46.88 84.53 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.898 -0.592 . . . . 1.39 111.125 -177.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.75 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.9 t -63.54 -47.84 89.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.288 -0.414 . . . . 0.23 110.592 -176.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.36 -42.17 83.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 120.693 0.282 . . . . 0.16 110.549 -177.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -53.94 51.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.169 -0.469 . . . . 1.08 111.143 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -69.61 -34.01 73.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.12 -0.491 . . . . 0.93 111.402 -174.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.75 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -63.24 -37.15 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 110.319 -0.252 . . . . 0.22 110.319 177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -64.96 -38.16 90.05 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.372 -0.377 . . . . 1.19 110.843 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.228 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.0 -36.23 67.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.373 178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.37 70.66 1.07 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.105 -0.498 . . . . 0.23 110.998 -175.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.56 -32.55 3.65 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 121.66 1.573 . . . . 0.19 111.976 169.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.82 -30.19 77.31 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.449 -0.66 . . . . 0.18 111.449 178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.584 HD12 ' HB3' ' A' ' 86' ' ' ASN . 78.5 mt -79.92 153.19 29.14 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.807 0.336 . . . . 0.21 110.698 -177.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.1 m -68.11 163.85 21.59 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.702 -177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.38 -38.21 93.08 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.356 -0.698 . . . . 0.14 111.356 -178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.3 t -66.02 -37.59 86.28 Favored 'General case' 0 N--CA 1.461 0.12 0 C-N-CA 121.082 -0.247 . . . . 0.11 110.666 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -61.19 -37.44 82.95 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.607 -0.269 . . . . 0.15 110.972 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.05 -45.07 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-N 116.431 -0.349 . . . . 0.15 110.357 178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.7 HD11 ' HB2' ' B' ' 37' ' ' ALA . 16.1 tp -62.51 -41.96 99.18 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.148 -0.478 . . . . 0.18 110.812 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.62 ' O ' HD23 ' A' ' 100' ' ' LEU . 57.3 t -58.34 -49.55 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 109.942 -0.392 . . . . 0.13 109.942 178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 44.2 tp60 -60.44 -44.54 95.7 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.763 -0.653 . . . . 1.11 111.274 -173.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.819 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.47 -37.88 88.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.1 110.752 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' B' ' 100' ' ' LEU . 78.7 mt -68.24 -50.66 52.45 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.756 -0.378 . . . . 0.23 111.893 -173.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.692 ' HB3' HD22 ' B' ' 99' ' ' LEU . 1.3 pt? -72.18 -29.58 64.13 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 119.823 -0.751 . . . . 0.48 110.812 -176.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.26 -32.79 74.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.636 -0.257 . . . . 1.1 110.805 176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.2 t -68.61 -36.77 76.01 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 109.858 -0.423 . . . . 0.13 109.858 173.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.1 t -60.82 -42.76 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-N 116.26 -0.427 . . . . 0.09 110.029 177.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.725 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -66.14 -40.86 90.93 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.143 -0.48 . . . . 0.27 111.309 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.17 -42.02 94.07 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.953 0.406 . . . . 0.15 110.409 178.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' B' ' 106' ' ' LEU . 33.7 mt -65.61 -35.88 82.12 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.925 -0.58 . . . . 0.11 111.084 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.4 t -60.69 -42.26 91.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 110.222 -0.288 . . . . 0.12 110.222 176.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -60.89 -43.9 97.86 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.201 -0.454 . . . . 0.14 110.909 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -42.96 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 116.12 -0.491 . . . . 0.16 110.43 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' B' ' 106' ' ' LEU . 66.8 mt -61.83 -45.75 92.47 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.496 -0.32 . . . . 0.16 111.318 -176.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.786 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.52 -39.24 93.92 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.289 -0.725 . . . . 0.23 111.289 -177.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.1 p -75.0 -22.8 58.29 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.593 0.22 . . . . 0.28 111.593 178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 40.9 p -94.33 164.81 12.87 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.944 0.402 . . . . 0.14 111.317 -174.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.7 m -96.81 125.28 41.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.633 -0.712 . . . . 0.09 110.252 176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' B' ' 113' ' ' SER . 48.0 mt -99.83 115.38 40.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.926 0.393 . . . . 0.13 110.414 -176.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.38 2.11 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.809 -0.916 . . . . 0.3 110.809 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.73 46.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 110.197 -0.297 . . . . 2.06 110.197 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 41.5 mm -88.11 126.54 41.5 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 CA-C-N 116.283 -0.417 . . . . 1.21 110.443 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -77.43 92.75 4.01 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.197 -0.456 . . . . 0.67 109.823 174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -66.2 -41.45 90.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.862 -0.608 . . . . 1.26 111.164 -169.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.45 -34.88 90.46 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.581 -0.608 . . . . 0.21 111.581 -176.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.36 -3.43 43.07 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.241 0.46 . . . . 0.18 112.241 -176.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.3 p -57.52 -35.77 70.71 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.915 -178.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.25 -35.98 82.73 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.243 -0.435 . . . . 0.19 110.892 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.93 -43.54 92.42 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.488 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.56 -31.81 73.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.25 -0.432 . . . . 1.22 111.051 177.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.461 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.6 m -60.24 -40.76 91.38 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.398 -0.365 . . . . 0.21 110.446 173.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.35 -34.33 77.47 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.979 -0.555 . . . . 1.64 110.853 176.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.1 mtp -61.69 -48.49 80.57 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.613 -0.267 . . . . 0.44 110.853 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 57.8 t -65.06 -47.11 89.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.459 -0.337 . . . . 0.16 110.646 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.48 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -57.31 -39.67 90.68 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 111.245 -0.742 . . . . 0.18 111.245 177.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -63.73 -45.3 90.53 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.593 0.235 . . . . 1.21 111.066 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.414 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.9 p -63.01 -35.4 80.11 Favored 'General case' 0 CA--C 1.527 0.092 0 CA-C-N 116.354 -0.384 . . . . 0.24 111.203 -177.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.774 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 97.4 t -64.66 -49.18 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.554 -0.293 . . . . 0.23 110.48 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.7 -48.0 81.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.425 -0.352 . . . . 0.27 111.1 -175.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 60.7 tp60 -67.52 -43.42 80.85 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.238 -0.437 . . . . 2.28 111.048 -177.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.49 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.41 -43.06 91.78 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.42 -0.355 . . . . 0.36 111.419 -173.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.716 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.4 mp -94.98 -8.21 37.57 Favored 'General case' 0 CA--C 1.534 0.342 0 N-CA-C 112.191 0.441 . . . . 0.87 112.191 -174.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.98 -36.34 69.76 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 121.157 -0.217 . . . . 1.16 110.575 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.982 -1.454 . . . . 2.62 110.899 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.394 -0.595 . . . . 33.16 109.394 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.29 150.96 37.59 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.237 -0.438 . . . . 32.82 110.544 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -124.08 147.85 47.57 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.224 -0.443 . . . . 32.83 110.51 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.4 mtp -65.41 -35.76 81.91 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.194 -0.457 . . . . 34.46 110.875 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -133.77 158.53 43.1 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.268 -0.423 . . . . 31.75 110.736 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.72 -173.15 48.86 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.959 -0.856 . . . . 30.32 110.959 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.31 80.83 0.09 OUTLIER Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.85 -0.9 . . . . 29.16 110.85 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -67.13 -47.42 71.15 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.533 0.206 . . . . 29.37 110.86 -178.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.42 -41.48 76.3 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.294 -0.412 . . . . 29.22 110.726 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 85.7 mtp -139.67 151.96 46.35 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.219 -0.446 . . . . 27.3 110.526 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.53 -166.26 34.24 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.858 -0.897 . . . . 26.28 110.858 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 90.6 mtt-85 -92.51 104.0 16.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 120.674 0.273 . . . . 27.96 110.511 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.02 -38.47 94.11 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.071 -0.811 . . . . 25.39 111.071 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 67.7 m 57.24 30.55 18.6 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-O 120.712 0.291 . . . . 25.26 111.335 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.6 mmt -65.72 -36.72 84.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.369 -0.378 . . . . 25.89 110.765 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.18 34.49 55.03 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 110.995 -0.842 . . . . 24.22 110.995 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.07 144.18 47.15 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.649 0.261 . . . . 23.68 110.539 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.54 137.57 36.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.235 -0.439 . . . . 22.43 110.566 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.3 t -142.62 147.04 35.15 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.212 -0.449 . . . . 21.41 110.533 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.72 151.99 38.89 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.216 -0.447 . . . . 20.15 110.573 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.98 -179.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.285 -0.416 . . . . 19.42 111.024 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -115.1 135.0 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 CA-C-N 116.192 -0.458 . . . . 18.26 110.101 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 71.4 m -144.27 -56.72 0.37 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.169 -0.469 . . . . 17.23 110.547 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 20.4 t 60.27 99.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 CA-C-N 116.243 -0.435 . . . . 16.38 110.613 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 158.24 -94.76 0.14 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.89 . . . . 14.42 110.876 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.92 -174.07 50.05 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 110.901 -0.88 . . . . 12.9 110.901 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -93.6 131.8 38.53 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.7 0.286 . . . . 12.61 110.544 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.04 148.83 5.31 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.881 -0.888 . . . . 8.77 110.881 -179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.29 -33.29 30.86 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.688 1.592 . . . . 7.53 112.002 -178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -131.07 151.19 51.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.21 -0.45 . . . . 8.51 110.519 179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.2 m -126.68 145.74 50.46 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.216 -0.447 . . . . 5.0 110.53 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 4.9 t -142.48 140.13 31.77 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.172 -0.467 . . . . 3.86 110.347 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 11.4 t -96.41 -37.21 10.55 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.24 -0.436 . . . . 1.67 111.008 -176.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.716 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -65.74 -59.24 9.56 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.381 -0.372 . . . . 0.47 111.484 -176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.44 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 26.1 Cg_endo -59.26 -23.04 67.92 Favored 'Trans proline' 0 N--CA 1.498 1.77 0 C-N-CA 121.437 1.424 . . . . 0.44 112.574 -168.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.529 HG12 HD22 ' A' ' 95' ' ' LEU . 24.5 t -64.15 -48.31 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 110.202 -0.295 . . . . 0.32 110.202 177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.774 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.68 -35.41 80.69 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.266 -0.425 . . . . 0.24 110.721 178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.5 m -61.42 -43.48 98.8 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.376 -0.374 . . . . 1.14 110.825 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.44 91.25 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.176 -0.465 . . . . 0.24 110.582 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.21 -38.36 90.85 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.249 -0.432 . . . . 0.18 110.902 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.94 -36.53 80.29 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.191 -0.459 . . . . 0.17 110.758 178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.4 t -62.56 -50.06 72.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.361 -0.381 . . . . 1.26 110.928 -178.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.0 ptt180 -75.79 -22.03 56.79 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 116.43 -0.35 . . . . 2.91 111.492 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.48 HD23 ' HA3' ' A' ' 131' ' ' GLY . 4.4 tp -61.25 -32.63 72.43 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 110.119 -0.326 . . . . 0.16 110.119 168.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.41 -10.83 59.8 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.67 152.22 93.2 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 121.193 -0.203 . . . . 0.25 110.834 -179.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -55.94 -33.09 88.0 Favored 'Trans proline' 0 N--CA 1.499 1.853 0 C-N-CA 121.798 1.666 . . . . 0.58 112.418 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.58 98.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.256 -0.429 . . . . 0.41 110.695 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.566 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.97 -46.38 78.29 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.734 -178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.8 p -59.28 -40.86 87.42 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.435 -0.348 . . . . 1.2 111.06 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.1 m -62.74 -41.4 99.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.169 -0.469 . . . . 1.37 110.71 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -64.89 -32.72 74.57 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.184 -0.462 . . . . 1.87 111.032 178.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.573 ' O ' HG23 ' B' ' 57' ' ' VAL . 56.2 t -61.44 -46.8 95.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 N-CA-C 110.142 -0.318 . . . . 0.21 110.142 176.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.5 m -58.94 -44.69 91.46 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.173 -0.467 . . . . 1.19 110.718 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.4 m -61.91 -36.94 82.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.0 -0.545 . . . . 1.23 110.674 179.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.23 -34.23 77.22 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.222 -0.445 . . . . 0.18 110.809 177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.608 ' O ' HG23 ' B' ' 61' ' ' VAL . 23.7 t -63.3 -54.37 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.418 -0.355 . . . . 0.15 110.198 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -59.8 -37.85 80.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.206 -0.452 . . . . 0.95 111.134 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.4 m -64.88 -51.09 63.89 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.413 -0.358 . . . . 1.23 111.058 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.471 HD21 HD23 ' B' ' 71' ' ' LEU . 46.0 mt -67.48 -40.26 85.25 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.389 -0.369 . . . . 0.21 110.912 -178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 57' ' ' VAL . 95.5 t -65.44 -47.25 87.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 CA-C-N 116.086 -0.506 . . . . 0.22 111.008 -175.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -74.34 -43.21 57.58 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.17 -174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.8 m -74.72 -37.23 62.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.379 -0.373 . . . . 0.24 110.93 -177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.57 107.23 0.61 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.624 -0.99 . . . . 0.18 110.624 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . 0.409 ' CG ' HD13 ' A' ' 115' ' ' ILE . 93.0 Cg_exo -40.72 -34.39 1.28 Allowed 'Trans proline' 0 N--CA 1.5 1.871 0 C-N-CA 122.527 2.151 . . . . 0.3 114.385 -179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.786 HG21 ' CA ' ' A' ' 111' ' ' GLY . 72.0 p -127.36 33.04 4.93 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.632 0.254 . . . . 0.51 111.379 -175.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -92.47 137.5 32.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.465 -0.334 . . . . 0.56 110.533 178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -61.55 -42.62 99.1 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.427 -0.351 . . . . 0.75 110.551 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.87 -39.16 87.45 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.013 -0.539 . . . . 0.19 110.715 -178.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.96 87.34 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.167 -0.469 . . . . 0.21 110.869 -178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.471 HD23 HD21 ' B' ' 60' ' ' LEU . 49.0 mt -63.79 -40.36 96.47 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.804 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 82.6 p -62.67 -40.73 97.99 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.437 -0.347 . . . . 0.18 110.828 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.9 -44.7 92.2 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.235 -0.439 . . . . 0.98 111.081 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.22 -46.46 80.58 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.289 -0.414 . . . . 0.29 110.847 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.645 ' O ' HG23 ' B' ' 79' ' ' VAL . 69.9 mt -62.99 -45.38 99.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.534 -0.303 . . . . 1.01 110.762 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.3 p -61.41 -49.42 76.93 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.826 0.346 . . . . 1.25 110.929 -177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.47 -46.87 84.21 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.043 -0.526 . . . . 1.39 111.124 -177.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.737 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.1 t -63.42 -48.0 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.654 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.5 t -58.22 -41.97 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 120.695 0.283 . . . . 0.16 110.603 -177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -60.52 -54.13 49.17 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.242 -0.435 . . . . 1.08 111.107 -179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -69.5 -33.87 73.48 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 116.178 -0.465 . . . . 0.93 111.463 -174.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.737 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.0 t -63.35 -36.71 77.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 110.309 -0.256 . . . . 0.22 110.309 177.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -65.68 -37.73 87.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.293 -0.412 . . . . 1.19 110.685 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.08 -41.47 98.21 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.183 -0.462 . . . . 0.29 111.071 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.58 -35.65 67.99 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.295 -0.411 . . . . 0.27 110.578 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.606 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.8 m-20 -113.1 70.4 1.29 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.091 -0.504 . . . . 0.23 110.817 -174.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.57 -32.56 3.63 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 121.675 1.584 . . . . 0.19 111.975 169.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.78 -30.44 77.98 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' B' ' 86' ' ' ASN . 79.1 mt -79.61 152.98 29.73 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.793 0.33 . . . . 0.21 110.834 -177.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -67.81 163.78 21.04 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.025 -0.534 . . . . 0.19 110.812 -177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -38.28 93.04 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.606 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.3 t -66.02 -37.54 86.16 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 121.15 -0.22 . . . . 0.11 110.619 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -61.45 -37.17 82.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.588 -0.278 . . . . 0.15 110.869 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.38 -44.84 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.402 -0.363 . . . . 0.15 110.247 178.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 tp -62.68 -41.97 99.38 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.163 -0.471 . . . . 0.18 110.679 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 57.6 t -58.27 -49.69 80.99 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 109.921 -0.4 . . . . 0.13 109.921 178.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.557 ' HB3' HG11 ' B' ' 82' ' ' VAL . 44.2 tp60 -60.28 -44.48 95.32 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.795 -0.638 . . . . 1.11 111.288 -173.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.67 -37.81 88.76 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.162 -0.472 . . . . 0.1 110.74 -179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.692 HD22 ' HB3' ' A' ' 100' ' ' LEU . 79.5 mt -67.67 -52.02 42.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.449 -0.342 . . . . 0.23 111.692 -173.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 99' ' ' LEU . 1.2 pt? -71.44 -29.49 64.93 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 119.956 -0.698 . . . . 0.48 110.928 -175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -64.44 -32.42 74.04 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 121.072 -0.251 . . . . 1.1 110.769 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.8 t -69.09 -36.55 74.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.702 -0.481 . . . . 0.13 109.702 173.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.566 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.6 t -61.18 -42.56 93.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.268 -0.424 . . . . 0.09 109.919 177.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.9 p -66.43 -40.58 89.58 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.181 -0.463 . . . . 0.27 111.285 -177.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.42 -41.63 94.36 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.863 0.363 . . . . 0.15 110.399 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 106' ' ' LEU . 33.4 mt -66.08 -35.59 80.94 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.901 -0.59 . . . . 0.11 111.026 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.566 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.3 t -60.83 -42.14 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 110.186 -0.301 . . . . 0.12 110.186 176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.0 m -61.05 -43.78 98.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.27 -0.423 . . . . 0.14 110.81 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.4 mt -64.59 -42.84 96.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.391 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.482 ' CD1' HD22 ' A' ' 106' ' ' LEU . 65.8 mt -61.86 -45.73 92.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.374 -0.376 . . . . 0.16 111.379 -177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.789 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.23 -39.71 94.54 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -177.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.6 p -74.8 -22.92 58.47 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.541 0.2 . . . . 0.28 111.541 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.42 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 40.2 p -93.93 165.01 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.001 0.429 . . . . 0.14 111.242 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 19.4 m -96.98 125.06 41.14 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.593 -0.731 . . . . 0.09 110.228 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 113' ' ' SER . 48.0 mt -99.71 115.46 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.985 0.421 . . . . 0.13 110.435 -176.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -91.35 -117.32 2.11 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.81 -0.916 . . . . 0.3 110.81 -178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -99.85 130.77 46.07 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 110.237 -0.283 . . . . 2.06 110.237 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 41.8 mm -88.25 126.51 41.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.304 -0.407 . . . . 1.21 110.459 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -77.45 92.86 4.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.766 175.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.06 -41.58 90.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.861 -0.609 . . . . 1.26 111.292 -170.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.35 -34.94 90.75 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.61 -0.596 . . . . 0.21 111.61 -176.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.31 -3.58 43.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.285 0.476 . . . . 0.18 112.285 -176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.31 -35.68 70.14 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.661 0.267 . . . . 0.17 111.044 -178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.42 -36.07 82.82 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.832 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -64.74 -43.3 93.81 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.33 -0.396 . . . . 1.12 110.587 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -64.19 -31.23 72.35 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.272 -0.422 . . . . 1.22 110.844 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.456 ' OG1' HG11 ' A' ' 53' ' ' VAL . 9.8 m -60.72 -40.42 92.28 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.478 -0.328 . . . . 0.21 110.349 173.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.63 -34.24 77.4 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.053 -0.521 . . . . 1.64 110.801 176.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 41.9 mtp -61.7 -48.37 81.08 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.535 -0.302 . . . . 0.44 110.909 179.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.725 HG21 ' HA ' ' A' ' 104' ' ' SER . 57.7 t -65.23 -47.26 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-N 116.437 -0.347 . . . . 0.16 110.567 -177.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.462 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -57.05 -39.77 90.25 Favored Glycine 0 CA--C 1.531 1.07 0 N-CA-C 111.328 -0.709 . . . . 0.18 111.328 177.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -63.7 -45.0 91.99 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.616 0.246 . . . . 1.21 111.098 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . 0.404 ' HB2' HD12 ' B' ' 75' ' ' ILE . 76.5 p -63.37 -35.24 79.74 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.298 -0.41 . . . . 0.24 111.024 -177.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.776 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 97.3 t -64.85 -49.23 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.534 -0.303 . . . . 0.24 110.425 178.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.509 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.58 -47.9 81.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.434 -0.348 . . . . 0.27 111.15 -175.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -67.68 -43.15 80.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.272 -0.422 . . . . 2.28 111.156 -177.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.47 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.53 -43.27 90.53 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.27 -0.423 . . . . 0.36 111.36 -173.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.706 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.4 mp -94.66 -8.61 37.38 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.127 0.417 . . . . 0.87 112.127 -174.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.66 -36.12 70.57 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.629 0.252 . . . . 1.16 110.658 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.711 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.924 -179.931 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.409 -0.589 . . . . 36.65 109.409 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.92 -35.95 81.15 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.257 -0.428 . . . . 37.14 110.749 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -139.8 143.72 37.0 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.265 -0.425 . . . . 36.26 110.573 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.0 ttp -94.93 135.36 36.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.207 -0.451 . . . . 36.12 110.461 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -122.66 157.1 32.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.239 -0.437 . . . . 35.35 110.514 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.06 -38.61 1.5 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.824 -0.91 . . . . 34.84 110.824 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.76 34.49 38.75 Favored Glycine 0 CA--C 1.528 0.881 0 N-CA-C 111.006 -0.837 . . . . 34.37 111.006 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -99.52 28.24 4.76 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.547 0.213 . . . . 34.86 111.098 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -128.43 156.19 43.58 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.689 0.281 . . . . 33.57 110.48 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.6 mtm -64.82 -36.0 82.91 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.198 -0.456 . . . . 32.05 110.797 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -172.66 -131.52 1.38 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.888 -0.885 . . . . 30.8 110.888 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.2 ttt85 -63.41 -38.09 89.78 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.673 0.273 . . . . 30.94 110.69 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 83.39 -169.14 47.15 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.827 -0.909 . . . . 29.08 110.827 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -146.13 157.11 43.83 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.622 0.249 . . . . 27.99 110.614 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -135.62 164.07 28.68 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.205 -0.452 . . . . 27.87 110.423 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.26 51.98 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.967 -0.853 . . . . 26.05 110.967 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.55 -35.54 80.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.613 0.244 . . . . 24.72 110.779 179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.2 87.09 0.83 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.311 -0.404 . . . . 23.32 110.456 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 86.4 p -151.52 166.12 32.13 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.085 -0.507 . . . . 22.02 110.571 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.84 117.83 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.262 -0.426 . . . . 21.23 110.965 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.33 151.81 46.35 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 116.117 -0.492 . . . . 19.47 110.639 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -100.35 133.54 43.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 CA-C-N 116.232 -0.44 . . . . 17.85 110.14 -179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.7 t -139.57 149.42 43.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.183 -0.462 . . . . 14.96 110.49 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.8 t -109.03 134.99 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.252 -0.431 . . . . 14.71 110.094 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -75.58 -124.91 0.17 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.916 -0.874 . . . . 11.62 110.916 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.84 40.36 12.16 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.035 -0.826 . . . . 9.69 111.035 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -100.64 29.14 4.64 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.64 0.257 . . . . 14.31 111.067 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.96 147.33 7.89 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.978 -0.849 . . . . 7.32 110.978 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -81.22 178.85 6.38 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.877 1.718 . . . . 5.74 112.169 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 60.15 81.14 0.18 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.144 -0.48 . . . . 8.09 111.09 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 30.0 t -71.02 149.13 46.9 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.005 -0.543 . . . . 3.07 110.448 178.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 34.7 t -129.27 49.04 2.28 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.09 0.471 . . . . 2.27 110.491 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 t -90.01 -35.52 15.47 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.93 -0.577 . . . . 0.79 110.76 179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -65.15 -59.18 10.45 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.294 -0.412 . . . . 0.47 111.367 -179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.2 Cg_endo -56.14 -20.53 31.4 Favored 'Trans proline' 0 N--CA 1.501 1.938 0 C-N-CA 121.622 1.548 . . . . 0.44 112.89 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 32' ' ' SER . 42.5 t -64.4 -51.39 68.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 N-CA-C 110.156 -0.312 . . . . 0.31 110.156 177.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.834 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.94 -34.49 78.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.335 -0.393 . . . . 0.24 110.777 178.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 m -61.15 -42.96 99.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.839 0.352 . . . . 1.14 110.789 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.61 92.06 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.509 178.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.11 -36.99 85.43 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.157 -0.474 . . . . 0.18 110.976 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.98 -40.17 87.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.272 -0.422 . . . . 0.17 110.836 178.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 76.6 p -63.47 -48.44 77.66 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.458 -0.337 . . . . 1.26 110.891 -177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.19 -23.06 57.64 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 120.754 -0.378 . . . . 2.91 111.384 178.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.0 tp -64.31 -32.25 73.78 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.703 -0.226 . . . . 0.16 110.434 172.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.8 p -80.5 -2.09 44.54 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 111.893 0.331 . . . . 1.35 111.893 177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.4 p -66.04 152.26 93.99 Favored Pre-proline 0 N--CA 1.464 0.234 0 C-N-CA 121.251 -0.18 . . . . 0.25 110.802 179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -57.65 -31.64 92.43 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 121.817 1.678 . . . . 0.57 112.172 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -41.6 97.67 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.33 -0.396 . . . . 0.41 110.629 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.45 -43.93 84.19 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.06 -0.518 . . . . 0.29 110.752 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.59 -41.47 85.84 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.874 0.369 . . . . 1.2 111.039 -177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -62.66 -41.97 99.36 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.077 -0.51 . . . . 1.37 110.768 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.656 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.4 mtm-85 -64.63 -33.24 75.48 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.302 -0.408 . . . . 1.87 111.084 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 54.4 t -61.16 -46.98 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 N-CA-C 109.926 -0.398 . . . . 0.21 109.926 177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 m -59.0 -44.99 91.75 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.24 -0.437 . . . . 1.19 110.794 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.1 m -61.65 -36.83 81.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.851 -0.613 . . . . 1.23 110.693 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.13 -34.0 76.67 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.145 -0.479 . . . . 0.18 110.864 177.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 61' ' ' VAL . 40.8 t -63.64 -54.03 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.446 -0.343 . . . . 0.15 110.201 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.6 t -60.81 -39.35 88.64 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.295 -0.411 . . . . 0.95 111.092 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 m -64.88 -50.23 67.4 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.425 -0.352 . . . . 1.23 111.009 -177.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.2 mt -66.77 -39.94 88.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.335 -0.393 . . . . 0.21 110.955 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.9 t -65.93 -47.19 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.167 -0.469 . . . . 0.22 110.99 -175.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.0 m -73.69 -43.12 60.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.594 -0.276 . . . . 1.31 111.131 -174.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 m -77.27 -39.57 47.74 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.631 -0.258 . . . . 0.24 110.934 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.7 106.43 0.55 Allowed Glycine 0 CA--C 1.533 1.18 0 N-CA-C 110.663 -0.975 . . . . 0.18 110.663 -177.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_exo -41.81 -31.91 1.5 Allowed 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.471 2.114 . . . . 0.3 114.292 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.868 HG21 ' CA ' ' B' ' 111' ' ' GLY . 22.2 p -128.6 32.95 4.74 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.663 0.268 . . . . 0.51 111.579 -174.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.89 138.04 31.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.463 -0.335 . . . . 0.56 110.566 177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.53 -43.71 98.37 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.769 0.319 . . . . 0.75 110.653 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.57 87.4 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.079 -0.509 . . . . 0.19 110.771 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.56 -42.87 86.44 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 116.317 -0.401 . . . . 0.21 110.899 -177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.29 -41.02 98.94 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.439 -0.346 . . . . 0.25 110.81 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.48 -41.55 98.86 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.45 -0.341 . . . . 0.18 110.981 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.8 -45.57 89.04 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.25 -0.432 . . . . 0.98 111.267 -178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.688 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.8 m -65.05 -46.25 82.02 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.238 -0.437 . . . . 0.29 110.837 -177.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.674 ' O ' HG23 ' A' ' 79' ' ' VAL . 55.0 mt -63.12 -45.48 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.502 -0.317 . . . . 1.01 110.661 -177.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 20.0 m -61.13 -49.17 78.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.947 0.404 . . . . 1.25 110.985 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.6 m -63.25 -45.08 93.21 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.919 -0.582 . . . . 1.39 111.142 -177.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.754 ' O ' HG23 ' A' ' 82' ' ' VAL . 59.1 t -64.43 -46.2 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.36 -0.382 . . . . 0.23 110.598 -177.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.5 t -58.85 -42.02 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 CA-C-O 120.689 0.28 . . . . 0.16 110.443 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -60.41 -54.02 50.63 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.985 0.422 . . . . 1.08 111.039 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -67.0 -36.37 82.0 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.923 -0.581 . . . . 0.93 111.328 -174.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 78' ' ' VAL . 59.7 t -62.9 -35.61 72.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.371 -0.233 . . . . 0.22 110.371 178.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.8 m -64.73 -38.35 90.7 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.383 -0.371 . . . . 1.19 110.841 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.78 -41.34 97.6 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.186 -178.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.41 -36.62 66.02 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.393 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.57 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.49 70.91 1.13 Allowed Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.188 -0.46 . . . . 0.23 111.057 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.69 -33.11 2.43 Favored 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 121.652 1.568 . . . . 0.19 111.976 169.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.15 -29.67 75.93 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 86' ' ' ASN . 80.6 mt -79.85 152.15 29.84 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.813 0.339 . . . . 0.21 110.758 -177.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.4 m -68.05 164.28 20.49 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.19 110.693 -177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.25 -39.05 94.11 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.487 -0.645 . . . . 0.14 111.487 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.571 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.7 -36.93 85.03 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 121.038 -0.265 . . . . 0.11 110.708 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.76 -37.4 84.16 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.487 -0.324 . . . . 0.15 110.804 177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.0 t -62.38 -44.26 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-N 116.366 -0.379 . . . . 0.15 110.386 178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.638 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.7 tp -62.91 -41.01 99.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.224 -0.444 . . . . 0.18 110.874 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 92' ' ' CYS . 57.6 t -60.19 -45.54 95.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.374 -0.375 . . . . 0.13 110.239 178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.579 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.49 -44.09 92.06 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.966 -0.561 . . . . 1.11 111.369 -174.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.83 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.39 -42.23 92.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.1 111.065 -179.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' B' ' 96' ' ' VAL . 85.2 mt -67.15 -50.56 60.83 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 120.997 -0.281 . . . . 0.23 111.639 -172.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.55 -30.31 67.0 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 120.106 -0.637 . . . . 0.48 110.537 -176.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -63.73 -32.25 73.68 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.598 0.237 . . . . 1.1 110.847 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.83 HG23 ' O ' ' A' ' 98' ' ' ALA . 33.9 t -66.52 -36.91 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.861 -0.422 . . . . 0.13 109.861 173.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 107' ' ' VAL . 22.1 t -61.53 -40.27 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.203 -0.453 . . . . 0.09 110.101 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.75 ' HA ' HG21 ' B' ' 130' ' ' VAL . 76.7 p -66.18 -42.46 88.84 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.309 -0.405 . . . . 0.27 111.3 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.71 98.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.938 0.399 . . . . 0.15 110.436 178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.54 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.6 mt -65.18 -35.26 80.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.92 -0.582 . . . . 0.11 111.158 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 103' ' ' VAL . 97.0 t -61.23 -43.54 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.712 0.291 . . . . 0.12 110.244 176.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 10.0 m -60.49 -42.03 95.48 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.184 -0.462 . . . . 0.14 110.952 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.3 mt -63.58 -44.3 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-N 116.167 -0.469 . . . . 0.16 110.493 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' B' ' 106' ' ' LEU . 76.6 mt -62.71 -43.64 98.28 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.41 -0.359 . . . . 0.16 111.312 -177.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.872 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.9 -39.22 93.33 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.344 -0.703 . . . . 0.23 111.344 -175.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 97.5 p -81.28 -22.15 38.84 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 90.3 p -94.42 166.21 12.18 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.903 0.382 . . . . 0.14 110.868 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 56.6 m -98.94 139.4 34.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.827 -0.624 . . . . 0.09 110.407 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.42 120.77 47.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.13 110.54 -179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.02 -128.13 6.21 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.698 -0.961 . . . . 0.3 110.698 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.22 124.06 40.08 Favored 'General case' 0 C--N 1.333 -0.125 0 N-CA-C 110.285 -0.265 . . . . 2.06 110.285 176.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.94 122.02 37.22 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-N 116.261 -0.427 . . . . 1.21 110.479 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.69 91.6 2.91 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.074 -0.512 . . . . 0.67 109.759 174.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.34 -38.81 91.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.853 -0.612 . . . . 1.26 111.316 -170.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.03 -33.83 88.24 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.606 -0.598 . . . . 0.21 111.606 -176.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.29 0.29 33.42 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.399 0.518 . . . . 0.18 112.399 -176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.69 -37.34 73.32 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.84 0.352 . . . . 0.17 110.908 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.51 -34.69 78.85 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.097 -0.501 . . . . 0.19 110.966 178.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -64.83 -43.26 93.66 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.915 0.388 . . . . 1.12 110.457 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.39 -31.79 73.04 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.236 -0.438 . . . . 1.22 110.928 176.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.463 ' OG1' HG11 ' B' ' 53' ' ' VAL . 10.8 m -61.02 -39.26 89.05 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.473 -0.33 . . . . 0.21 110.615 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -63.61 -34.78 78.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.131 -0.486 . . . . 1.64 110.89 176.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 65.4 mtp -62.1 -49.18 76.94 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.661 0.267 . . . . 0.44 110.874 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.733 HG21 ' HA ' ' B' ' 104' ' ' SER . 58.6 t -65.18 -47.23 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.365 -0.38 . . . . 0.16 110.685 -177.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.53 -39.51 90.91 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.161 -0.775 . . . . 0.18 111.161 177.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.22 -43.27 98.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.58 0.229 . . . . 1.21 111.033 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.434 ' HB2' HD12 ' A' ' 75' ' ' ILE . 75.8 p -62.55 -37.23 85.3 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.316 -0.402 . . . . 0.24 111.159 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.775 HG13 ' HB1' ' B' ' 37' ' ' ALA . 98.1 t -64.46 -49.94 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 116.431 -0.349 . . . . 0.23 110.513 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.95 -49.57 74.23 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.379 -0.373 . . . . 0.27 111.113 -175.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -67.82 -39.95 83.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.161 -0.472 . . . . 2.28 111.191 -177.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.478 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.55 -43.24 90.5 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.415 -0.357 . . . . 0.36 111.456 -173.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.836 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.2 mp -96.09 -8.38 33.53 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.064 0.394 . . . . 0.87 112.064 -175.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.91 -36.33 67.26 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.584 0.231 . . . . 1.16 110.527 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.77 0 CA-C-O 117.983 -1.454 . . . . 2.62 110.923 -179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.5 ptm . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.457 -0.572 . . . . 33.16 109.457 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.01 144.82 54.97 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 32.82 110.66 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -111.17 141.71 44.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.287 -0.415 . . . . 32.83 110.572 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.2 ttt -150.13 -49.21 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.224 -0.444 . . . . 34.46 110.537 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.4 m -65.54 -39.88 92.26 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.268 -0.424 . . . . 31.75 110.658 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -88.27 176.24 45.05 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.984 -0.846 . . . . 30.32 110.984 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.02 -163.45 49.32 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.884 -0.886 . . . . 29.16 110.884 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -95.71 128.11 42.3 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.639 0.256 . . . . 29.37 110.386 179.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -101.54 144.3 30.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.184 -0.462 . . . . 29.22 110.672 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 9.9 tpt -65.89 -34.53 78.35 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.232 -0.44 . . . . 27.3 110.877 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 87.2 35.19 9.85 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.058 -0.817 . . . . 26.28 111.058 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -134.67 145.34 48.46 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.641 0.258 . . . . 27.96 110.433 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 116.65 -35.55 4.16 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 110.988 -0.845 . . . . 25.39 110.988 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 30.8 t -126.37 140.5 52.45 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.63 0.253 . . . . 25.26 110.463 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 45.5 ttm -95.79 127.28 41.69 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.2 -0.455 . . . . 25.89 110.558 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.25 -176.62 47.12 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.958 -0.857 . . . . 24.22 110.958 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.67 117.03 27.35 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.633 0.254 . . . . 23.68 110.587 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -113.16 147.16 37.97 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.273 -0.421 . . . . 22.43 110.498 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 90.8 p -139.08 149.77 44.95 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.206 -0.452 . . . . 21.41 110.602 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.71 -47.08 33.4 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.245 -0.434 . . . . 20.15 110.569 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.17 154.89 25.95 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 116.16 -0.473 . . . . 19.42 110.563 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -104.13 132.82 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.215 -0.448 . . . . 18.26 110.02 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 46.9 m -122.64 149.03 44.56 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.206 -0.452 . . . . 17.23 110.515 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -110.84 134.36 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 116.221 -0.445 . . . . 16.38 110.095 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 178.69 68.9 0.06 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.991 -0.843 . . . . 14.42 110.991 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -82.65 178.91 53.22 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.81 -0.916 . . . . 12.9 110.81 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -110.87 24.14 13.31 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 120.448 0.166 . . . . 12.61 111.337 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.56 84.74 0.07 OUTLIER Glycine 0 CA--C 1.532 1.134 0 N-CA-C 111.204 -0.759 . . . . 8.77 111.204 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.0 97.07 0.27 Allowed 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 121.654 1.569 . . . . 7.53 111.941 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.28 -35.1 79.52 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.142 -0.481 . . . . 8.51 110.986 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -90.93 135.82 33.49 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.344 -0.389 . . . . 5.0 110.635 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -88.98 -33.36 17.24 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.153 -0.476 . . . . 3.86 110.966 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 49.5 m -112.81 151.44 30.37 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.483 -0.326 . . . . 1.67 110.627 -178.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.701 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -176.92 -59.85 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.217 -0.447 . . . . 0.47 111.158 -179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 12.1 Cg_endo -55.93 -20.73 30.72 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.696 1.597 . . . . 0.44 112.824 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.13 -51.39 69.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 110.18 -0.304 . . . . 0.32 110.18 177.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.836 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.08 -34.43 78.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.333 -0.394 . . . . 0.24 110.701 178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.0 m -61.19 -42.83 99.28 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.814 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.32 91.25 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.501 178.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.93 85.37 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.187 -0.46 . . . . 0.18 110.817 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.09 86.84 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.205 -0.452 . . . . 0.17 110.735 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 76.0 p -63.4 -48.41 77.98 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.407 -0.36 . . . . 1.26 110.953 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -75.6 -22.38 56.97 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 120.811 -0.356 . . . . 2.91 111.405 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.52 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.4 tp -64.54 -32.56 74.26 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.279 -0.267 . . . . 0.16 110.279 172.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 59.7 p -80.39 -2.07 44.02 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.2 p -66.15 152.47 93.9 Favored Pre-proline 0 CA--C 1.533 0.32 0 C-N-CA 121.25 -0.18 . . . . 0.25 110.707 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.8 -31.66 92.9 Favored 'Trans proline' 0 N--CA 1.499 1.805 0 C-N-CA 121.804 1.669 . . . . 0.58 112.14 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.69 97.76 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.306 -0.406 . . . . 0.41 110.633 179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.638 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -43.8 84.86 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.125 -0.489 . . . . 0.29 110.817 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.9 m -58.73 -41.4 86.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.425 -0.352 . . . . 1.2 111.004 -177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.2 m -62.77 -41.81 99.41 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.155 -0.475 . . . . 1.37 110.699 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.677 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.6 mtm-85 -64.77 -33.24 75.51 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.237 -0.438 . . . . 1.87 111.003 178.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.23 -46.84 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 N-CA-C 110.018 -0.364 . . . . 0.21 110.018 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.08 -45.01 91.92 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.185 -0.462 . . . . 1.19 110.826 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.8 m -61.57 -36.67 81.3 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.974 -0.557 . . . . 1.23 110.78 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.29 -34.05 76.84 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.179 -0.464 . . . . 0.18 110.807 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.604 ' O ' HG23 ' B' ' 61' ' ' VAL . 40.6 t -63.57 -53.9 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.393 -0.367 . . . . 0.15 110.261 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -60.95 -39.37 89.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.363 -0.381 . . . . 0.95 111.05 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.3 m -64.88 -50.15 67.71 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.357 -0.383 . . . . 1.23 111.07 -177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 69.9 mt -66.72 -39.91 88.2 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.298 -0.41 . . . . 0.21 110.977 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.604 HG23 ' O ' ' B' ' 57' ' ' VAL . 90.1 t -66.0 -47.27 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-N 116.101 -0.5 . . . . 0.22 110.913 -175.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -73.39 -43.37 60.68 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.584 -0.28 . . . . 1.31 111.202 -174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 29.9 m -77.18 -39.53 48.59 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.482 -0.326 . . . . 0.24 110.993 -176.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.69 106.31 0.55 Allowed Glycine 0 CA--C 1.533 1.157 0 N-CA-C 110.658 -0.977 . . . . 0.18 110.658 -177.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_exo -41.63 -31.96 1.37 Allowed 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.536 2.157 . . . . 0.3 114.256 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.872 HG21 ' CA ' ' A' ' 111' ' ' GLY . 22.2 p -128.71 33.21 4.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.698 0.285 . . . . 0.51 111.554 -174.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -93.14 137.99 31.98 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.489 -0.323 . . . . 0.56 110.478 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.52 -43.8 98.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.525 -0.307 . . . . 0.75 110.609 178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.8 -40.63 88.18 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.118 -0.492 . . . . 0.19 110.808 -178.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.53 -42.79 86.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.267 -0.424 . . . . 0.21 110.844 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.2 mt -63.45 -40.67 97.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.368 -0.378 . . . . 0.25 110.862 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.91 -41.17 99.37 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.377 -0.374 . . . . 0.18 110.916 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -64.21 -45.58 87.66 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.22 -0.445 . . . . 0.98 111.039 -178.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.5 m -65.01 -46.19 82.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.329 -0.396 . . . . 0.29 110.897 -177.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.671 ' O ' HG23 ' B' ' 79' ' ' VAL . 54.7 mt -63.14 -45.45 98.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.653 -177.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.9 m -61.21 -49.07 78.64 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.804 0.335 . . . . 1.25 110.943 -178.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.1 m -63.36 -45.05 92.95 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.128 -177.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.747 ' O ' HG23 ' B' ' 82' ' ' VAL . 58.9 t -64.42 -46.35 93.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.285 -0.416 . . . . 0.23 110.544 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.671 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.8 t -58.59 -42.02 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.705 0.288 . . . . 0.16 110.502 -178.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t -60.59 -54.0 50.73 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.189 -0.459 . . . . 1.08 110.998 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -67.03 -36.09 81.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.025 -0.534 . . . . 0.93 111.4 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 78' ' ' VAL . 59.7 t -63.18 -35.08 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 121.156 -0.217 . . . . 0.22 110.422 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.9 m -65.37 -37.97 88.64 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.585 174.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.64 98.53 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.137 -0.483 . . . . 0.29 110.988 -178.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.91 -36.12 67.22 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.33 -0.395 . . . . 0.27 110.618 178.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.5 m-20 -113.19 70.62 1.37 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.049 -0.523 . . . . 0.23 110.929 -174.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.62 -33.18 2.46 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.623 1.549 . . . . 0.19 111.954 169.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.96 -30.04 76.95 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.583 -0.607 . . . . 0.18 111.583 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.0 mt -79.48 151.9 30.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.712 0.291 . . . . 0.21 110.897 -177.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.7 m -67.82 164.19 20.17 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.016 -0.538 . . . . 0.19 110.727 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.15 -39.14 94.09 Favored Glycine 0 CA--C 1.528 0.858 0 N-CA-C 111.453 -0.659 . . . . 0.14 111.453 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -65.78 -36.81 84.6 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 121.093 -0.243 . . . . 0.11 110.668 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.89 -37.25 83.87 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.445 -0.343 . . . . 0.15 110.772 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 33.8 t -62.64 -44.03 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.382 -0.372 . . . . 0.15 110.292 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.647 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.8 tp -63.17 -40.79 98.55 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.266 -0.425 . . . . 0.18 110.802 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 92' ' ' CYS . 59.7 t -60.43 -45.45 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.37 -0.377 . . . . 0.13 110.102 179.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.571 ' HB3' HG11 ' B' ' 82' ' ' VAL . 39.9 tp60 -64.54 -43.92 92.45 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 1.11 111.247 -173.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.69 -42.16 91.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.1 110.96 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 96' ' ' VAL . 85.5 mt -66.57 -52.19 48.24 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.588 -0.278 . . . . 0.23 111.429 -172.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.554 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.24 -30.27 68.37 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 120.417 -0.513 . . . . 0.48 110.855 -176.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.08 -32.08 73.51 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 121.063 -0.255 . . . . 1.1 110.707 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 35.4 t -66.74 -36.65 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 N-CA-C 109.77 -0.456 . . . . 0.13 109.77 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.743 ' O ' HG23 ' B' ' 107' ' ' VAL . 22.8 t -61.96 -40.15 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.216 -0.447 . . . . 0.09 109.944 177.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.733 ' HA ' HG21 ' A' ' 130' ' ' VAL . 77.1 p -66.21 -42.41 88.78 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.248 -0.433 . . . . 0.27 111.268 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.08 -42.43 98.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.948 0.404 . . . . 0.15 110.455 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.535 ' CD1' HG13 ' A' ' 103' ' ' VAL . 37.9 mt -65.69 -35.02 79.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.913 -0.585 . . . . 0.11 111.0 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.743 HG23 ' O ' ' B' ' 103' ' ' VAL . 98.4 t -61.25 -43.32 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.655 0.264 . . . . 0.12 110.325 176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 9.9 m -60.83 -41.76 96.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.145 -0.479 . . . . 0.14 110.959 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.87 -44.01 97.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.15 -0.477 . . . . 0.16 110.399 -179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.418 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 74.9 mt -62.94 -43.53 98.54 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.392 -0.367 . . . . 0.16 111.328 -177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.868 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.64 -39.9 93.9 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.262 -0.735 . . . . 0.23 111.262 -176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.5 p -80.84 -22.62 39.76 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.549 0.203 . . . . 0.28 111.549 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.418 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 90.6 p -93.56 166.81 12.07 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.901 0.381 . . . . 0.14 110.94 -176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.3 m -99.42 139.47 35.03 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.672 . . . . 0.09 110.403 -178.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.61 120.83 47.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.441 -0.345 . . . . 0.13 110.47 -179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.05 -128.13 6.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.676 -0.97 . . . . 0.3 110.676 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -96.23 124.0 40.07 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 110.263 -0.273 . . . . 2.06 110.263 176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 39.1 mm -83.91 121.98 37.17 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.516 -177.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -75.66 91.64 2.9 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.799 174.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.26 -38.94 91.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.878 -0.601 . . . . 1.26 111.29 -170.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.11 -33.66 87.63 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.625 -0.59 . . . . 0.21 111.625 -176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.24 34.24 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.328 0.492 . . . . 0.18 112.328 -176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.74 -37.15 73.08 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.711 0.291 . . . . 0.17 110.917 -178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.59 -34.93 79.38 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.187 -0.46 . . . . 0.19 110.919 178.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.61 -43.01 95.14 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.389 -0.369 . . . . 1.12 110.578 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.97 -31.18 72.27 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.273 -0.422 . . . . 1.22 110.83 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.444 ' OG1' HG11 ' A' ' 53' ' ' VAL . 11.2 m -61.48 -39.09 89.66 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.48 -0.327 . . . . 0.21 110.42 174.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 -63.88 -34.68 78.5 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.11 -0.496 . . . . 1.64 110.845 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 65.5 mtp -62.11 -49.11 77.22 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.608 -0.269 . . . . 0.44 110.867 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.75 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -65.31 -47.27 87.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.46 -0.336 . . . . 0.16 110.672 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.55 -39.34 90.71 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.237 -0.745 . . . . 0.18 111.237 177.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.32 -42.89 99.02 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.566 0.222 . . . . 1.21 111.065 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . 0.431 ' HB2' HD12 ' B' ' 75' ' ' ILE . 78.6 p -63.02 -37.15 86.04 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.269 -0.423 . . . . 0.24 110.9 -177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.768 HG13 ' HB1' ' A' ' 37' ' ' ALA . 97.2 t -64.45 -49.97 78.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.529 -0.305 . . . . 0.24 110.483 179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.81 -49.55 74.51 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.346 -0.388 . . . . 0.27 111.123 -175.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -68.05 -39.72 82.95 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.197 -0.456 . . . . 2.28 111.076 -177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.487 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.72 -43.38 89.26 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.395 -0.366 . . . . 0.36 111.361 -173.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.2 mp -95.64 -9.05 33.1 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.022 0.378 . . . . 0.87 112.022 -175.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.482 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.51 -36.14 68.29 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 120.637 0.256 . . . . 1.16 110.666 178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.692 0 CA-C-O 118.015 -1.436 . . . . 2.35 110.898 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.435 -0.58 . . . . 36.65 109.435 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.66 -35.44 80.17 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.158 -0.474 . . . . 37.14 110.754 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t 59.68 178.54 0.08 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.371 -0.377 . . . . 36.26 110.996 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 73.3 mtm -122.99 167.39 13.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.171 -0.468 . . . . 36.12 110.521 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -118.19 162.85 17.55 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.189 -0.459 . . . . 35.35 110.466 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -82.73 -176.91 51.72 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.958 -0.857 . . . . 34.84 110.958 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -171.48 40.62 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.019 -0.832 . . . . 34.37 111.019 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -70.68 148.07 48.43 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.693 0.283 . . . . 34.86 110.515 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -64.54 -37.1 86.38 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.176 -0.465 . . . . 33.57 110.774 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 86.9 mtp -92.15 138.01 31.89 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.243 -0.435 . . . . 32.05 110.492 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.98 -173.96 46.12 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.045 -0.822 . . . . 30.8 111.045 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -78.42 146.26 34.63 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.574 0.226 . . . . 30.94 110.557 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.65 -163.07 13.5 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.882 -0.887 . . . . 29.08 110.882 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.0 p -100.03 30.79 3.58 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.657 0.265 . . . . 27.99 111.002 -178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.7 mtp 59.07 32.17 21.95 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-O 120.782 0.325 . . . . 27.87 111.233 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.5 -174.56 35.63 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.906 -0.878 . . . . 26.05 110.906 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.98 -37.15 83.72 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.634 0.254 . . . . 24.72 110.639 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.88 149.57 27.47 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.137 -0.483 . . . . 23.32 110.471 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.7 t -142.52 133.87 26.31 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.26 -0.427 . . . . 22.02 110.635 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -170.51 -65.05 0.02 OUTLIER 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.234 -0.439 . . . . 21.23 110.584 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.99 153.92 23.07 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.235 -0.439 . . . . 19.47 110.52 179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -113.35 128.85 69.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 116.322 -0.399 . . . . 17.85 110.137 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 49.5 m -141.19 153.53 45.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.225 -0.443 . . . . 14.96 110.551 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.7 t -114.46 135.31 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.2 -0.454 . . . . 14.71 110.06 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.83 -135.09 24.31 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 11.62 110.915 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.1 35.5 38.3 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 110.959 -0.857 . . . . 9.69 110.959 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -108.94 31.51 5.63 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.657 0.265 . . . . 14.31 110.83 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.77 63.06 3.32 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 110.821 -0.912 . . . . 7.32 110.821 -178.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.99 145.24 49.55 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 121.78 1.653 . . . . 5.74 112.163 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -99.89 49.64 0.92 Allowed 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 116.093 -0.503 . . . . 8.09 110.244 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.9 t -54.29 -68.96 0.14 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.872 -0.604 . . . . 3.07 111.555 -177.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.1 p -170.04 79.65 0.1 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.968 0.413 . . . . 2.27 110.842 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -71.99 -30.48 65.29 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.128 -0.487 . . . . 0.79 111.046 176.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.693 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -55.76 -59.26 11.96 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.495 -0.32 . . . . 0.47 111.767 -177.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 14.3 Cg_endo -56.47 -19.99 31.42 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.578 1.519 . . . . 0.44 112.882 -174.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG12 HD22 ' B' ' 95' ' ' LEU . 22.5 t -63.87 -50.69 76.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.777 0.323 . . . . 0.31 110.235 177.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.792 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.11 -36.76 84.02 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.258 -0.428 . . . . 0.24 110.756 179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.1 p -62.0 -40.36 95.39 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.82 0.343 . . . . 1.14 110.874 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.28 92.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.188 -0.46 . . . . 0.24 110.587 177.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.51 86.88 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.174 -0.466 . . . . 0.18 110.873 178.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.04 -36.14 79.42 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.255 -0.429 . . . . 0.17 110.822 177.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.7 m -63.0 -49.82 73.16 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.424 -0.353 . . . . 1.26 110.797 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -75.26 -22.92 57.48 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.458 -0.337 . . . . 2.91 111.456 178.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.481 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.1 tp -60.89 -32.26 71.72 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 110.283 -0.266 . . . . 0.16 110.283 168.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -75.99 -12.0 60.06 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.798 0.296 . . . . 1.35 111.798 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.3 p -65.33 152.11 92.66 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 121.222 -0.191 . . . . 0.25 110.925 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.62 -32.88 85.12 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.822 1.681 . . . . 0.57 112.323 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.34 -41.0 98.84 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.284 -0.416 . . . . 0.41 110.678 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.21 -44.84 82.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.144 -0.48 . . . . 0.29 110.68 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -41.37 91.44 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.434 -0.348 . . . . 1.2 111.124 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 86.6 p -63.7 -41.46 98.11 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.132 -0.485 . . . . 1.37 110.925 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.689 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.6 mtm-85 -64.65 -35.35 80.72 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.27 -0.423 . . . . 1.87 111.116 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 49' ' ' ALA . 61.0 t -61.58 -45.17 99.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 110.103 -0.332 . . . . 0.21 110.103 177.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.3 m -58.65 -43.85 89.92 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.695 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -61.92 -36.95 82.89 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.888 -0.596 . . . . 1.23 110.673 178.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.9 76.14 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.22 -0.446 . . . . 0.18 110.918 176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 61' ' ' VAL . 41.0 t -63.47 -52.42 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-N 116.377 -0.374 . . . . 0.15 110.265 178.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.6 t -60.61 -39.42 88.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.125 -177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -65.0 -50.3 66.83 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.391 -0.368 . . . . 1.23 110.976 -177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 76.9 mt -66.95 -40.65 87.59 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.389 -0.368 . . . . 0.21 110.986 -177.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.9 -47.22 86.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 116.074 -0.512 . . . . 0.22 110.946 -175.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.48 -43.12 60.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.201 -174.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.6 m -74.77 -39.95 61.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.438 -0.346 . . . . 0.24 110.937 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.45 109.97 0.87 Allowed Glycine 0 CA--C 1.532 1.112 0 N-CA-C 110.708 -0.957 . . . . 0.18 110.708 -177.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -41.98 -32.54 1.85 Allowed 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 122.394 2.063 . . . . 0.3 114.106 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.665 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.2 p -116.94 28.01 8.79 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 111.686 0.254 . . . . 0.51 111.686 -173.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -97.09 133.45 41.73 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.614 0.245 . . . . 0.56 110.925 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.7 tp60 -62.83 -41.62 99.4 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.376 -0.374 . . . . 0.75 110.425 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.71 -38.4 89.08 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.091 -0.504 . . . . 0.19 110.803 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.29 84.77 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.262 -0.426 . . . . 0.21 110.866 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -62.64 -41.2 98.89 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.405 -0.362 . . . . 0.25 110.794 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.74 -42.11 99.51 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.363 -0.38 . . . . 0.18 110.975 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.82 -46.54 84.61 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.307 -0.406 . . . . 0.98 111.274 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.7 m -65.24 -46.4 80.72 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.278 -0.419 . . . . 0.29 110.871 -177.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 56.7 mt -63.28 -45.33 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.464 -0.335 . . . . 1.01 110.709 -177.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 90.4 p -61.69 -48.87 78.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.781 0.324 . . . . 1.25 110.913 -177.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.6 m -63.04 -46.04 89.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.984 -0.553 . . . . 1.39 111.132 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.2 t -63.51 -47.36 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.359 -0.382 . . . . 0.23 110.53 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.5 t -58.05 -42.31 82.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.696 0.284 . . . . 0.16 110.519 -177.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.78 -53.09 61.65 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.216 -0.447 . . . . 1.08 111.14 -179.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.49 -33.96 71.82 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.13 -0.486 . . . . 0.93 111.456 -174.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.5 t -63.0 -37.2 78.71 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 110.324 -0.251 . . . . 0.22 110.324 177.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.1 t -64.93 -37.73 88.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.34 -0.391 . . . . 1.19 110.808 174.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.34 97.76 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.158 -0.474 . . . . 0.29 111.238 -178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.15 -36.13 66.58 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.27 -0.423 . . . . 0.27 110.391 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.576 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.39 70.84 1.09 Allowed Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.158 -0.474 . . . . 0.23 110.957 -175.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -76.85 -32.41 3.42 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 121.651 1.567 . . . . 0.19 111.99 169.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.92 -30.1 77.11 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.517 -0.633 . . . . 0.18 111.517 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.0 mt -80.51 153.04 28.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.706 0.289 . . . . 0.21 110.658 -177.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.0 m -68.18 164.18 21.01 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.132 -0.485 . . . . 0.19 110.667 -177.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.44 -37.52 92.17 Favored Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.322 -0.711 . . . . 0.14 111.322 -178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.3 t -66.22 -38.22 87.41 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 121.077 -0.249 . . . . 0.11 110.698 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.622 -0.263 . . . . 0.15 110.938 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.82 -44.0 99.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.341 -0.39 . . . . 0.15 110.266 177.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.675 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 16.2 tp -63.44 -40.71 97.88 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.18 110.947 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 92' ' ' CYS . 58.6 t -60.04 -46.3 94.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 CA-C-N 116.388 -0.369 . . . . 0.13 110.184 178.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.588 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -64.05 -43.25 96.09 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.338 -174.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.818 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.2 -42.82 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.296 -0.411 . . . . 0.1 111.018 -179.139 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.503 HD22 ' CB ' ' B' ' 100' ' ' LEU . 86.5 mt -67.17 -50.52 60.77 Favored 'General case' 0 C--O 1.232 0.181 0 C-N-CA 120.938 -0.305 . . . . 0.23 111.72 -172.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.53 -29.07 64.35 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.143 -0.623 . . . . 0.48 110.595 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.403 ' HG2' HD12 ' A' ' 44' ' ' LEU . 51.0 mt-10 -65.09 -32.19 73.78 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 121.024 -0.27 . . . . 1.1 110.629 174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.9 t -66.8 -36.68 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 N-CA-C 109.949 -0.389 . . . . 0.13 109.949 173.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' B' ' 103' ' ' VAL . 26.1 t -60.16 -44.69 95.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-N 116.251 -0.431 . . . . 0.09 109.96 177.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.731 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.4 p -64.53 -39.83 94.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.1 -0.5 . . . . 0.27 111.327 -177.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.39 96.22 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.989 0.423 . . . . 0.15 110.6 178.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.561 ' HB2' HD13 ' B' ' 106' ' ' LEU . 49.8 mt -65.84 -36.83 84.57 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.001 -0.545 . . . . 0.11 111.291 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.5 t -60.87 -41.39 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.158 -0.312 . . . . 0.12 110.158 176.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.5 m -60.41 -41.55 94.13 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.177 -0.465 . . . . 0.14 110.9 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 62.3 mt -65.21 -40.34 88.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.137 -0.483 . . . . 0.16 110.509 179.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.03 -44.77 95.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.55 -0.296 . . . . 0.16 111.328 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.678 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -66.33 -39.23 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.26 -0.736 . . . . 0.23 111.26 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.72 -27.53 60.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.457 0.17 . . . . 0.28 111.279 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.6 p -94.71 166.28 12.08 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.979 0.419 . . . . 0.14 110.942 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.1 m -101.15 141.4 34.08 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.679 -0.691 . . . . 0.09 110.381 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.44 129.78 46.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.13 110.47 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.08 -125.58 5.15 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.815 -0.914 . . . . 0.3 110.815 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.13 124.91 41.3 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 110.361 -0.237 . . . . 2.06 110.361 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 35.9 mm -76.16 122.27 29.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.277 -0.419 . . . . 1.21 110.544 -178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -86.12 91.25 8.37 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.552 -0.536 . . . . 0.67 109.552 172.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.14 -40.5 90.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.811 -0.631 . . . . 1.26 111.3 -168.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.21 -36.68 92.11 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.569 -0.612 . . . . 0.21 111.569 -176.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.51 -9.25 58.39 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 112.08 0.4 . . . . 0.18 112.08 -176.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.3 p -57.5 -35.51 70.32 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.652 0.263 . . . . 0.17 110.94 -177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.69 81.95 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.247 -0.433 . . . . 0.19 110.889 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.96 -44.15 90.35 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.42 -0.355 . . . . 1.12 110.507 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.405 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 92.9 m-85 -63.27 -31.74 72.97 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.227 -0.442 . . . . 1.22 110.935 177.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.579 ' OG1' HG11 ' B' ' 53' ' ' VAL . 9.7 m -60.68 -40.27 91.52 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.44 -0.346 . . . . 0.21 110.487 174.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.2 -34.69 78.19 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.046 -0.524 . . . . 1.64 110.899 176.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 68.5 mtp -61.31 -46.57 89.76 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.622 0.249 . . . . 0.44 110.844 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.758 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.81 -47.59 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.449 -0.342 . . . . 0.16 110.721 -177.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' B' ' 44' ' ' LEU . . . -56.51 -38.87 82.77 Favored Glycine 0 CA--C 1.531 1.076 0 N-CA-C 111.229 -0.748 . . . . 0.18 111.229 176.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.42 -44.04 95.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.584 0.23 . . . . 1.21 111.019 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 83.6 p -62.84 -35.87 81.37 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.398 -0.364 . . . . 0.24 111.104 -178.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.79 HG13 ' HB1' ' B' ' 37' ' ' ALA . 94.3 t -64.48 -49.64 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.505 -0.316 . . . . 0.23 110.451 178.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.86 -49.02 76.51 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.387 -0.369 . . . . 0.27 111.09 -175.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -67.47 -42.03 83.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.105 -0.498 . . . . 2.28 111.102 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.456 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.14 -43.1 92.97 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.363 -0.381 . . . . 0.36 111.445 -173.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.803 HD22 ' HB3' ' B' ' 37' ' ' ALA . 6.1 mp -95.09 -8.22 37.21 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.174 0.435 . . . . 0.87 112.174 -175.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -71.9 -36.24 69.94 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.643 0.258 . . . . 1.16 110.56 177.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.971 -1.46 . . . . 2.62 110.922 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.368 -0.604 . . . . 33.16 109.368 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.97 -36.54 82.43 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.273 -0.421 . . . . 32.82 110.771 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -138.86 141.42 38.63 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.242 -0.436 . . . . 32.83 110.516 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 73.7 mtm -65.84 -36.46 83.53 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.193 -0.458 . . . . 34.46 110.82 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -136.76 158.5 44.3 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.208 -0.451 . . . . 31.75 110.676 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.79 -165.79 42.41 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.948 -0.861 . . . . 30.32 110.948 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.99 114.74 0.73 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.931 -0.868 . . . . 29.16 110.931 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.45 -37.07 85.79 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.658 0.266 . . . . 29.37 110.782 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -115.36 152.89 32.0 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.249 -0.432 . . . . 29.22 110.559 -179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.7 mtp -98.24 155.41 17.19 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.173 -0.467 . . . . 27.3 110.52 179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.56 37.63 23.09 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.9 -0.88 . . . . 26.28 110.9 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 -69.53 151.99 45.35 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.674 0.273 . . . . 27.96 110.516 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.65 -171.01 26.21 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.922 -0.871 . . . . 25.39 110.922 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 7.9 t 67.95 -67.67 0.18 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.44 0.162 . . . . 25.26 110.906 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.94 -36.07 83.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.598 -0.274 . . . . 25.89 110.814 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.61 -114.99 2.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 24.22 110.915 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.06 165.6 0.08 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.69 0.281 . . . . 23.68 111.048 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.82 139.34 50.9 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.124 -0.489 . . . . 22.43 110.594 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.8 m -126.07 147.6 49.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.174 -0.466 . . . . 21.41 110.531 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -88.13 121.36 30.45 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.183 -0.462 . . . . 20.15 110.558 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.37 154.56 34.74 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.242 -0.435 . . . . 19.42 110.613 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -117.77 133.08 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.234 -0.439 . . . . 18.26 110.035 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.3 m -124.43 147.55 48.21 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.239 -0.437 . . . . 17.23 110.615 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.1 m -131.49 157.33 43.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.208 -0.451 . . . . 16.38 110.573 179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.21 -43.7 1.26 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.921 -0.872 . . . . 14.42 110.921 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.05 -128.35 25.57 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 110.982 -0.847 . . . . 12.9 110.982 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -116.74 139.05 51.01 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.616 0.246 . . . . 12.61 110.411 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.05 66.86 2.16 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.978 -0.849 . . . . 8.77 110.978 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.61 147.38 86.24 Favored 'Trans proline' 0 N--CA 1.496 1.675 0 C-N-CA 121.775 1.65 . . . . 7.53 112.007 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -93.55 132.97 37.34 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.228 -0.442 . . . . 8.51 110.62 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 5.2 m -157.29 95.17 1.45 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.226 -0.443 . . . . 5.0 110.532 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 28.7 t -148.37 152.93 37.86 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.216 -0.447 . . . . 3.86 110.595 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 32.2 t -105.09 139.7 39.38 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.179 -0.464 . . . . 1.67 110.471 179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.7 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -178.78 -60.17 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.377 0 CA-C-N 116.208 -0.451 . . . . 0.47 111.36 -179.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.499 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.14 -20.18 29.97 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 121.611 1.54 . . . . 0.44 112.822 -173.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.476 HG12 HD22 ' A' ' 95' ' ' LEU . 22.8 t -63.79 -50.6 77.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 110.161 -0.311 . . . . 0.32 110.161 177.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.803 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.3 -36.51 83.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.293 -0.412 . . . . 0.24 110.761 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.5 p -62.23 -40.16 95.22 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.438 -0.347 . . . . 1.14 110.773 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.98 91.35 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.121 -0.491 . . . . 0.24 110.551 178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.02 -37.28 86.56 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.814 178.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.35 -35.98 78.55 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.2 -0.454 . . . . 0.17 110.753 177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.8 m -63.04 -49.65 73.74 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.411 -0.359 . . . . 1.26 110.91 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -75.77 -22.11 56.78 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.465 -0.334 . . . . 2.91 111.491 178.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.4 tp -61.2 -32.77 72.53 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 110.085 -0.339 . . . . 0.16 110.085 168.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 56.9 m -75.54 -12.13 60.16 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.7 p -65.27 152.28 92.17 Favored Pre-proline 0 CA--C 1.534 0.345 0 C-N-CA 121.095 -0.242 . . . . 0.25 110.873 -179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -55.64 -32.88 85.24 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.938 1.759 . . . . 0.58 112.359 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.96 98.49 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.295 -0.411 . . . . 0.41 110.739 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.599 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.13 -44.65 83.59 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.088 -0.506 . . . . 0.29 110.814 -179.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 87.9 p -60.07 -41.27 92.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.409 -0.359 . . . . 1.2 111.069 -177.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.1 p -63.87 -41.21 97.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.165 -0.471 . . . . 1.37 110.86 -179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.696 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.8 mtm-85 -65.02 -35.2 80.43 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 116.243 -0.435 . . . . 1.87 111.004 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.599 HG23 ' O ' ' B' ' 49' ' ' ALA . 61.4 t -61.62 -45.2 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.438 -0.346 . . . . 0.21 110.074 177.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.3 m -58.63 -43.94 89.87 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.286 -0.415 . . . . 1.19 110.672 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.2 t -61.77 -36.86 82.29 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.029 -0.532 . . . . 1.23 110.722 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.76 76.11 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.102 -0.499 . . . . 0.18 110.834 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.596 ' O ' HG23 ' B' ' 61' ' ' VAL . 41.6 t -63.55 -52.26 59.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.15 110.258 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 16.3 t -60.85 -39.25 88.42 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.336 -0.393 . . . . 0.95 111.114 -177.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -64.98 -50.33 66.77 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.445 -0.343 . . . . 1.23 111.002 -177.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.94 -40.62 87.6 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.385 -0.37 . . . . 0.21 110.918 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.0 t -65.99 -47.21 85.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 116.167 -0.47 . . . . 0.22 110.934 -175.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.3 -43.42 60.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.573 -0.285 . . . . 1.31 111.108 -174.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 60.4 m -74.67 -39.84 61.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.388 -0.369 . . . . 0.24 110.923 -177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.3 109.9 0.87 Allowed Glycine 0 CA--C 1.532 1.151 0 N-CA-C 110.693 -0.963 . . . . 0.18 110.693 -177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -41.73 -32.6 1.63 Allowed 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 122.49 2.127 . . . . 0.3 114.216 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.678 HG21 ' HA2' ' A' ' 111' ' ' GLY . 80.9 p -117.1 28.26 8.62 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 111.637 0.236 . . . . 0.51 111.637 -173.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -97.37 133.32 42.13 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.687 -0.233 . . . . 0.56 110.805 -178.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 15.6 tp60 -62.78 -41.65 99.34 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.391 -0.368 . . . . 0.75 110.382 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -65.69 -38.34 88.98 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.455 . . . . 0.19 110.812 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.7 -43.22 84.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.21 110.793 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.3 mt -62.83 -40.95 99.0 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.403 -0.362 . . . . 0.25 110.823 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.7 p -63.07 -41.78 99.52 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.312 -0.404 . . . . 0.18 110.924 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.17 -46.58 83.36 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.311 -0.404 . . . . 0.98 111.086 -177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.673 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.9 m -65.26 -46.44 80.51 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 116.341 -0.391 . . . . 0.29 110.832 -177.14 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.67 ' O ' HG23 ' B' ' 79' ' ' VAL . 56.8 mt -63.13 -45.4 98.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 116.411 -0.359 . . . . 1.01 110.725 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 89.7 p -61.58 -48.94 78.66 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.818 0.342 . . . . 1.25 110.917 -177.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.0 m -63.1 -46.17 88.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.114 -0.494 . . . . 1.39 111.07 -177.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.753 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.0 t -63.25 -47.61 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.291 -0.413 . . . . 0.23 110.608 -176.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.67 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.3 t -57.71 -42.32 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 120.645 0.259 . . . . 0.16 110.568 -177.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.1 m -60.99 -53.02 62.38 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.187 -0.461 . . . . 1.08 111.09 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -70.52 -33.91 71.71 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.295 -0.411 . . . . 0.93 111.46 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.17 -36.67 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 121.065 -0.254 . . . . 0.22 110.368 177.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -65.61 -37.29 86.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.296 -0.411 . . . . 1.19 110.663 174.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.63 98.67 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.29 111.073 -178.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.67 -35.65 67.76 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.359 -0.382 . . . . 0.27 110.585 178.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.602 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -113.03 70.61 1.27 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 116.124 -0.489 . . . . 0.23 110.877 -174.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -76.84 -32.43 3.41 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 121.596 1.53 . . . . 0.19 111.946 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.59 78.37 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.458 -0.657 . . . . 0.18 111.458 178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.6 mt -80.06 152.94 29.1 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.749 0.309 . . . . 0.21 110.823 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -68.04 164.16 20.74 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.033 -0.531 . . . . 0.19 110.762 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.3 -37.63 92.17 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.376 -0.69 . . . . 0.14 111.376 -178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.598 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.4 t -66.25 -38.05 86.95 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 121.125 -0.23 . . . . 0.11 110.687 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -61.43 -36.58 80.73 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.617 -0.265 . . . . 0.15 110.741 177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -63.0 -43.72 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.503 -0.317 . . . . 0.15 110.252 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.664 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tp -63.9 -40.53 96.71 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.205 -0.452 . . . . 0.18 110.772 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.598 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.08 -46.22 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.395 -0.366 . . . . 0.13 110.136 178.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.585 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.8 tp60 -64.31 -43.05 95.91 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.95 -0.568 . . . . 1.11 111.186 -173.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.827 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.47 -42.87 91.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.1 110.887 -178.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.502 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.2 mt -66.44 -52.13 49.56 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.515 -0.311 . . . . 0.23 111.535 -173.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.524 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -70.24 -29.17 65.91 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 120.423 -0.511 . . . . 0.48 110.958 -176.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -65.31 -31.87 73.23 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.048 -0.261 . . . . 1.1 110.569 174.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.6 t -67.35 -36.27 76.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.223 0 N-CA-C 109.8 -0.444 . . . . 0.13 109.8 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.513 HG22 HG22 ' A' ' 103' ' ' VAL . 27.7 t -60.57 -44.49 96.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.817 -0.438 . . . . 0.09 109.817 177.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.758 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.4 p -64.72 -39.74 94.16 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.058 -0.519 . . . . 0.27 111.245 -177.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.07 -41.2 96.18 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.794 0.33 . . . . 0.15 110.48 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.561 HD13 ' HB2' ' A' ' 106' ' ' LEU . 50.1 mt -66.17 -36.76 83.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.973 -0.558 . . . . 0.11 111.092 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . . . . . . . . . 94.8 t -60.99 -41.09 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.166 -0.309 . . . . 0.12 110.166 176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.405 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 16.7 m -60.77 -41.21 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.199 -0.455 . . . . 0.14 110.842 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 62.7 mt -65.54 -40.15 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 116.226 -0.443 . . . . 0.16 110.321 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.3 -44.62 94.49 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.494 -0.321 . . . . 0.16 111.204 -178.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.665 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -66.08 -39.78 94.82 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.141 -0.784 . . . . 0.23 111.141 -178.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.1 p -74.47 -27.89 60.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.423 0.154 . . . . 0.28 111.145 177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -94.12 166.53 12.08 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.906 0.384 . . . . 0.14 111.033 -175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 68.3 m -101.55 141.5 34.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.78 -0.645 . . . . 0.09 110.315 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.54 129.83 46.04 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.475 -0.33 . . . . 0.13 110.413 -178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -109.04 -125.44 5.13 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.841 -0.904 . . . . 0.3 110.841 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -97.22 124.91 41.45 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.323 -0.251 . . . . 2.06 110.323 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.1 mm -76.23 122.32 30.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.267 -0.424 . . . . 1.21 110.6 -178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -86.11 91.22 8.36 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.568 -0.53 . . . . 0.67 109.568 172.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.93 -40.6 91.54 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.837 -0.619 . . . . 1.26 111.35 -168.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -66.23 -36.78 92.24 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.526 -0.63 . . . . 0.21 111.526 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.37 -9.43 58.59 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.087 0.403 . . . . 0.18 112.087 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.28 -35.38 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.655 0.264 . . . . 0.17 111.028 -177.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -35.96 82.7 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.256 -0.429 . . . . 0.19 110.766 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.67 -43.94 91.97 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.353 -0.385 . . . . 1.12 110.595 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -63.94 -31.15 72.24 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.277 -0.42 . . . . 1.22 110.845 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.574 ' OG1' HG11 ' A' ' 53' ' ' VAL . 10.2 m -61.13 -39.84 91.53 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.379 -0.373 . . . . 0.21 110.451 174.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -63.63 -34.46 77.88 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.063 -0.517 . . . . 1.64 110.834 176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 68.4 mtp -61.5 -46.34 90.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.55 -0.295 . . . . 0.44 110.865 179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.731 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.3 t -66.01 -47.71 84.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 116.491 -0.322 . . . . 0.16 110.622 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.411 ' HA3' HD23 ' A' ' 44' ' ' LEU . . . -56.24 -38.96 80.33 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 111.295 -0.722 . . . . 0.18 111.295 176.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -63.52 -43.83 96.05 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.628 0.251 . . . . 1.21 110.957 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 84.1 p -63.03 -35.84 81.56 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.338 -0.392 . . . . 0.24 110.985 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.766 HG13 ' HB1' ' A' ' 37' ' ' ALA . 95.8 t -64.54 -49.66 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.484 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.79 -48.94 76.96 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.341 -0.39 . . . . 0.27 111.11 -175.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -67.65 -41.85 83.18 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.241 -0.436 . . . . 2.28 111.08 -177.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.458 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -65.26 -43.27 91.86 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.299 -173.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.792 HD22 ' HB3' ' A' ' 37' ' ' ALA . 6.1 mp -94.76 -8.81 36.5 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.078 0.399 . . . . 0.87 112.078 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.506 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.54 -36.15 70.88 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-O 120.607 0.242 . . . . 1.16 110.6 177.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.955 -1.47 . . . . 2.35 110.95 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.6 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.404 -0.591 . . . . 36.65 109.404 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.63 95.65 2.55 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.192 -0.458 . . . . 37.14 110.61 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 t -164.15 -46.68 0.03 OUTLIER 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.174 -0.466 . . . . 36.26 110.551 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -99.31 151.32 21.18 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.219 -0.446 . . . . 36.12 110.566 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 m -75.84 138.75 41.33 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.219 -0.446 . . . . 35.35 110.471 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 143.51 49.09 0.04 OUTLIER Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.919 -0.872 . . . . 34.84 110.919 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.11 -121.22 0.59 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.988 -0.845 . . . . 34.37 110.988 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -103.29 141.44 35.91 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.6 0.238 . . . . 34.86 110.561 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -65.72 -37.04 85.3 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.273 -0.421 . . . . 33.57 110.854 -179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 73.0 mtm -129.67 -64.66 0.87 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.323 -0.398 . . . . 32.05 110.665 -179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.63 -170.2 47.96 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.939 -0.864 . . . . 30.8 110.939 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -69.9 146.64 51.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.66 0.267 . . . . 30.94 110.544 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.82 -75.67 1.31 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.878 -0.889 . . . . 29.08 110.878 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.6 m -70.14 153.63 42.9 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-O 120.665 0.269 . . . . 27.99 110.525 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.1 mmm -133.87 147.69 51.18 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.261 -0.427 . . . . 27.87 110.56 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.11 33.86 58.97 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.135 -0.786 . . . . 26.05 111.135 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.86 -38.15 79.55 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.672 0.272 . . . . 24.72 110.634 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.7 162.8 40.97 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.203 -0.453 . . . . 23.32 110.514 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -113.98 144.29 43.32 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.209 -0.45 . . . . 22.02 110.442 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 62.62 -79.57 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.086 -0.506 . . . . 21.23 111.006 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.78 167.14 0.07 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.751 0.31 . . . . 19.47 111.234 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.3 t -124.88 135.58 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 17.85 110.054 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.6 m -119.1 145.72 45.71 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.278 -0.419 . . . . 14.96 110.564 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -124.14 136.54 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.132 -0.485 . . . . 14.71 110.114 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.63 -73.74 2.17 Favored Glycine 0 CA--C 1.527 0.786 0 N-CA-C 110.916 -0.874 . . . . 11.62 110.916 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -146.73 -97.99 0.21 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.979 -0.848 . . . . 9.69 110.979 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -107.71 29.49 7.17 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.603 0.24 . . . . 14.31 111.012 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.49 84.09 0.13 Allowed Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 7.32 110.997 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.03 145.56 85.48 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.71 1.606 . . . . 5.74 111.988 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -97.52 46.95 1.02 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.171 -0.468 . . . . 8.09 110.59 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.1 t -75.52 106.99 7.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.996 -0.547 . . . . 3.07 110.552 -179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.2 t -171.9 85.15 0.08 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 2.27 110.416 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 t -138.05 -48.7 0.55 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.052 -0.522 . . . . 0.79 110.779 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -62.89 -59.14 13.34 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.36 -0.382 . . . . 0.47 111.215 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.513 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 15.3 Cg_endo -57.55 -24.29 61.06 Favored 'Trans proline' 0 N--CA 1.5 1.87 0 C-N-CA 121.534 1.49 . . . . 0.44 112.462 -179.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.545 HG12 HD22 ' B' ' 95' ' ' LEU . 22.0 t -64.64 -48.03 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 110.199 -0.297 . . . . 0.31 110.199 177.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.97 -35.2 79.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.244 -0.434 . . . . 0.24 110.71 178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.1 t -61.06 -44.95 96.62 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.894 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.14 94.61 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.693 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.09 85.42 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.113 -0.494 . . . . 0.18 110.966 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.79 87.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.252 -0.431 . . . . 0.17 110.709 178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t -62.77 -49.46 74.91 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.273 -0.421 . . . . 1.26 110.943 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -75.29 -23.24 57.36 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 120.743 -0.383 . . . . 2.91 111.293 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.553 HD22 ' CD1' ' A' ' 100' ' ' LEU . 4.2 tp -62.84 -32.22 73.39 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 110.347 -0.242 . . . . 0.16 110.347 171.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.5 m -79.73 -1.49 38.78 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.001 0.371 . . . . 1.35 112.001 177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.9 p -66.95 152.17 96.2 Favored Pre-proline 0 CA--C 1.533 0.301 0 C-N-CA 121.219 -0.192 . . . . 0.25 110.833 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.13 -33.28 83.39 Favored 'Trans proline' 0 N--CA 1.5 1.901 0 C-N-CA 121.842 1.695 . . . . 0.57 112.382 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.7 98.45 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.702 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.637 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.85 81.78 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.153 -0.476 . . . . 0.29 110.721 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 m -58.91 -41.52 87.45 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.87 0.367 . . . . 1.2 111.054 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.9 t -62.35 -41.97 99.02 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.094 -0.503 . . . . 1.37 110.802 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.2 mtm-85 -64.31 -33.36 75.66 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 116.207 -0.451 . . . . 1.87 111.074 178.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 49' ' ' ALA . 47.6 t -60.99 -45.97 97.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.88 -0.415 . . . . 0.21 109.88 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.5 m -58.83 -45.65 89.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.041 0.448 . . . . 1.19 110.713 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 m -61.83 -37.38 84.24 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.825 -0.625 . . . . 1.23 110.743 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.6 -34.47 77.07 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.238 -0.437 . . . . 0.18 110.83 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.595 ' O ' HG23 ' A' ' 61' ' ' VAL . 47.9 t -63.56 -52.57 56.05 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.349 -0.387 . . . . 0.15 110.237 178.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 18.6 t -59.19 -39.63 83.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.371 -0.377 . . . . 0.95 111.157 -176.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -65.55 -51.29 60.91 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.375 -0.375 . . . . 1.23 110.983 -177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.9 mt -67.03 -40.09 87.14 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.396 -0.366 . . . . 0.21 111.007 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 57' ' ' VAL . 87.0 t -65.16 -47.36 87.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 116.216 -0.447 . . . . 0.22 110.969 -176.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.3 m -73.15 -43.16 61.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.576 -0.283 . . . . 1.31 111.237 -174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -78.81 -38.08 39.13 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.534 -0.303 . . . . 0.24 111.1 -176.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.18 103.23 0.39 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 110.685 -0.966 . . . . 0.18 110.685 -177.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -42.86 -32.49 2.63 Favored 'Trans proline' 0 N--CA 1.501 1.943 0 C-N-CA 122.477 2.118 . . . . 0.3 114.122 -178.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.655 HG21 ' HA2' ' B' ' 111' ' ' GLY . 72.4 p -125.42 31.66 5.51 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.623 0.249 . . . . 0.51 111.503 -173.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -96.34 142.65 28.22 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.618 -0.265 . . . . 0.56 110.683 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -63.02 -43.34 98.98 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.532 -0.304 . . . . 0.75 110.562 177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.05 -44.36 80.36 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.19 110.847 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.97 -43.34 92.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.341 -0.391 . . . . 0.21 110.914 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.4 mt -63.47 -41.38 98.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.437 -0.347 . . . . 0.25 110.84 -179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.1 p -60.33 -39.55 87.47 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.754 0.312 . . . . 0.18 110.793 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.67 -40.7 97.89 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 0.98 110.985 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.0 m -65.5 -47.03 77.41 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.158 -0.474 . . . . 0.29 110.928 -177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 79' ' ' VAL . 51.4 mm -62.46 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-O 120.548 0.213 . . . . 1.01 110.682 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.6 t -60.76 -51.33 69.8 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.917 0.389 . . . . 1.25 111.01 -177.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.14 -47.08 84.27 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.964 -0.562 . . . . 1.39 111.196 -176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.79 -47.42 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.26 -0.427 . . . . 0.23 110.698 -175.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.7 -42.33 88.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-O 120.628 0.251 . . . . 0.16 110.519 -177.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 m -60.33 -53.74 54.06 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.947 0.403 . . . . 1.08 111.084 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -66.68 -37.01 83.87 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.927 -0.579 . . . . 0.93 111.298 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.2 t -62.6 -36.06 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.707 -0.224 . . . . 0.22 110.42 178.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -64.51 -38.32 90.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.287 -0.415 . . . . 1.19 110.873 174.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.5 98.19 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.209 -178.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.3 -36.21 66.25 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.263 -0.426 . . . . 0.27 110.57 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.643 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.0 m-20 -112.4 71.51 1.16 Allowed Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.131 -0.486 . . . . 0.23 111.037 -174.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -79.6 -34.83 0.91 Allowed 'Trans proline' 0 N--CA 1.494 1.552 0 C-N-CA 121.641 1.56 . . . . 0.19 111.986 168.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.15 -29.73 75.77 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.593 -0.603 . . . . 0.18 111.593 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 86' ' ' ASN . 44.9 mt -79.08 154.11 29.64 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.669 0.271 . . . . 0.21 110.75 -177.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.8 m -67.16 163.46 20.21 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.082 -0.508 . . . . 0.19 110.804 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.37 -40.63 96.29 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.422 -0.671 . . . . 0.14 111.422 -178.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.604 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.3 t -65.88 -35.9 81.94 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 121.027 -0.269 . . . . 0.11 110.687 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -61.26 -39.35 90.03 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.56 -0.291 . . . . 0.15 110.868 177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.3 t -62.71 -43.48 98.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.33 -0.395 . . . . 0.15 110.41 178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.703 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.4 tp -62.9 -41.78 99.56 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.254 -0.43 . . . . 0.18 110.876 -179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.2 t -60.41 -44.97 97.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.305 -0.407 . . . . 0.13 110.163 179.161 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.541 ' O ' HD23 ' A' ' 100' ' ' LEU . 39.0 tp60 -64.05 -43.27 96.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.948 -0.569 . . . . 1.11 111.268 -174.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -43.37 93.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.295 -0.411 . . . . 0.1 111.02 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 82.6 mt -66.79 -50.54 62.32 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.951 -0.3 . . . . 0.23 111.701 -172.486 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.553 ' CD1' HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -70.9 -29.73 65.87 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.21 -0.596 . . . . 0.48 110.657 -176.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.15 -32.81 74.53 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.633 0.254 . . . . 1.1 110.707 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -66.38 -36.44 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 110.047 -0.353 . . . . 0.13 110.047 173.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.6 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.4 t -61.14 -43.08 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.306 -0.406 . . . . 0.09 110.178 178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.661 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.3 p -66.15 -38.25 87.67 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.198 -0.456 . . . . 0.27 111.286 -178.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.71 95.98 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.926 0.393 . . . . 0.15 110.534 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.507 ' CD1' HG13 ' B' ' 103' ' ' VAL . 49.3 mt -65.09 -35.67 81.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.009 -0.541 . . . . 0.11 111.018 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 103' ' ' VAL . 91.1 t -61.61 -41.31 89.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 110.255 -0.276 . . . . 0.12 110.255 176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.4 m -60.73 -42.08 96.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.332 -0.394 . . . . 0.14 110.934 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.39 -43.07 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.101 -0.5 . . . . 0.16 110.349 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.484 ' C ' HG21 ' B' ' 66' ' ' THR . 83.3 mt -63.46 -43.29 97.76 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.465 -0.334 . . . . 0.16 111.385 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.679 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.18 -39.25 96.02 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.409 -0.676 . . . . 0.23 111.409 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 95.6 p -83.57 -21.7 32.57 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 111.735 0.272 . . . . 0.28 111.735 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.401 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.5 p -94.45 166.33 12.11 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.842 0.353 . . . . 0.14 110.9 -176.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 m -98.29 138.83 34.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.74 -0.664 . . . . 0.09 110.55 -177.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.7 118.37 44.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.351 -0.386 . . . . 0.13 110.408 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.1 -124.09 5.09 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.674 -0.97 . . . . 0.3 110.674 178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.69 129.3 44.12 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 110.082 -0.34 . . . . 2.06 110.082 176.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.67 119.42 40.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-N 116.355 -0.384 . . . . 1.21 110.414 -177.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -77.22 98.75 5.22 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.091 -0.504 . . . . 0.67 109.913 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.23 -41.12 90.49 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.966 -0.561 . . . . 1.26 111.297 -170.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.51 -34.54 89.42 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.735 -0.546 . . . . 0.21 111.735 -176.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.36 -7.1 53.1 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 112.184 0.438 . . . . 0.18 112.184 -176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.04 -34.78 68.56 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.784 0.326 . . . . 0.17 111.018 -178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.38 84.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.237 -0.438 . . . . 0.19 110.886 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -65.23 -43.53 91.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.336 -0.393 . . . . 1.12 110.513 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 93.4 m-85 -64.2 -31.83 73.18 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.264 -0.425 . . . . 1.22 111.044 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.533 ' OG1' HG11 ' B' ' 53' ' ' VAL . 16.3 m -60.04 -39.39 85.76 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.418 -0.355 . . . . 0.21 110.423 173.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -64.42 -34.2 77.63 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.033 -0.53 . . . . 1.64 110.937 176.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 80.5 mtp -61.06 -47.15 87.7 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.643 0.259 . . . . 0.44 110.805 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.9 t -65.91 -47.66 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.633 -178.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.44 -37.95 84.57 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.121 -0.792 . . . . 0.18 111.121 177.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.8 -44.14 90.87 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.446 0.165 . . . . 1.21 111.084 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.6 p -62.56 -37.6 86.78 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.537 -0.301 . . . . 0.24 111.103 -177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.773 HG13 ' HB1' ' B' ' 37' ' ' ALA . 91.2 t -64.79 -51.21 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 CA-C-N 116.416 -0.356 . . . . 0.23 110.535 179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.77 -46.88 83.24 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.477 -0.329 . . . . 0.27 111.263 -174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.95 -44.76 79.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.411 . . . . 2.28 111.275 -175.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.519 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -67.9 -43.14 79.96 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.439 -0.346 . . . . 0.36 111.421 -174.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.8 mp -99.23 -8.18 25.41 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 112.233 0.457 . . . . 0.87 112.233 -175.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.46 41.21 0.17 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.906 0.384 . . . . 1.16 110.659 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.805 0 CA-C-O 118.013 -1.437 . . . . 2.62 110.951 179.582 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 mtt . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.333 -0.618 . . . . 33.16 109.333 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.78 152.66 39.9 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.224 -0.443 . . . . 32.82 110.579 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 86.9 p -66.48 -34.02 77.0 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.232 -0.44 . . . . 32.83 110.851 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 72.8 mtm -132.01 158.74 40.73 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.359 -0.382 . . . . 34.46 110.577 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.0 m -83.35 137.65 33.87 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.245 -0.434 . . . . 31.75 110.543 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -177.99 -176.7 46.18 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.995 -0.842 . . . . 30.32 110.995 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.34 114.53 3.86 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.906 -0.877 . . . . 29.16 110.906 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -104.64 129.61 52.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.627 0.251 . . . . 29.37 110.432 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -141.75 36.64 1.62 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.228 -0.442 . . . . 29.22 110.416 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.3 mtp -107.96 172.31 6.91 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.071 -0.513 . . . . 27.3 110.556 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.33 -130.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.156 -0.777 . . . . 26.28 111.156 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 67.5 mtt85 59.55 94.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.683 0.277 . . . . 27.96 110.996 -179.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.08 -170.9 51.65 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.978 -0.849 . . . . 25.39 110.978 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -146.55 158.24 43.87 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.714 0.292 . . . . 25.26 110.577 179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 72.8 mtm -103.95 134.39 47.32 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.217 -0.447 . . . . 25.89 110.523 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.39 -38.36 93.52 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.121 -0.791 . . . . 24.22 111.121 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.67 144.6 45.77 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.744 0.306 . . . . 23.68 110.587 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.16 145.6 53.17 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.198 -0.456 . . . . 22.43 110.556 179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -140.36 -56.81 0.54 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.236 -0.438 . . . . 21.41 110.589 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.39 83.17 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.281 -0.418 . . . . 20.15 110.714 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 58.07 101.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.212 -0.449 . . . . 19.42 111.096 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.8 t -115.32 132.46 64.57 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.26 -0.427 . . . . 18.26 110.103 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.4 m -123.77 146.95 47.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.152 -0.477 . . . . 17.23 110.543 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 m -131.53 151.93 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 116.272 -0.422 . . . . 16.38 110.676 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.77 -34.54 89.07 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.188 -0.765 . . . . 14.42 111.188 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.64 39.6 11.95 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.936 -0.866 . . . . 12.9 110.936 -179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.0 -38.08 87.55 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.67 0.271 . . . . 12.61 110.748 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -160.58 151.85 22.44 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.869 -0.893 . . . . 8.77 110.869 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -75.38 137.63 21.15 Favored 'Trans proline' 0 N--CA 1.496 1.632 0 C-N-CA 121.74 1.627 . . . . 7.53 112.056 179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.39 -37.28 84.9 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.2 -0.454 . . . . 8.51 110.744 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m -128.25 153.65 46.72 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.187 -0.46 . . . . 5.0 110.546 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 86.7 p -64.59 -33.64 76.4 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.243 -0.435 . . . . 3.86 110.921 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.1 t -131.4 133.87 45.67 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.291 -0.413 . . . . 1.67 110.441 178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.748 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -176.19 -59.79 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.228 -0.442 . . . . 0.47 110.964 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 14.1 Cg_endo -57.22 -24.34 58.71 Favored 'Trans proline' 0 N--CA 1.501 1.932 0 C-N-CA 121.552 1.501 . . . . 0.44 112.46 -179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.535 HG12 HD22 ' A' ' 95' ' ' LEU . 22.1 t -64.6 -48.07 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 110.11 -0.329 . . . . 0.32 110.11 177.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.773 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.0 -35.21 79.94 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.239 -0.437 . . . . 0.24 110.715 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.2 t -61.01 -44.98 96.62 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.404 -0.362 . . . . 1.14 110.84 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.82 93.96 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.205 -0.452 . . . . 0.24 110.673 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.04 85.62 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.186 -0.461 . . . . 0.18 110.818 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.86 -38.75 86.94 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.211 -0.45 . . . . 0.17 110.683 178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.0 t -62.72 -49.58 74.5 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.207 -0.451 . . . . 1.26 110.999 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.24 -22.93 57.52 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 120.772 -0.371 . . . . 2.91 111.398 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.554 HD22 ' CD1' ' B' ' 100' ' ' LEU . 4.4 tp -63.11 -32.13 73.43 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 110.238 -0.282 . . . . 0.16 110.238 171.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 71.6 m -79.96 -1.26 38.71 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.92 0.341 . . . . 1.35 111.92 177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -67.11 152.42 96.08 Favored Pre-proline 0 CA--C 1.533 0.312 0 C-N-CA 121.177 -0.209 . . . . 0.25 110.75 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.33 -33.27 84.63 Favored 'Trans proline' 0 N--CA 1.5 1.874 0 C-N-CA 121.901 1.734 . . . . 0.58 112.319 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.77 98.45 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.31 -0.405 . . . . 0.41 110.725 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.642 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.27 -44.86 82.4 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.105 -0.498 . . . . 0.29 110.756 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -58.99 -41.43 87.62 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.43 -0.35 . . . . 1.2 111.036 -177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -62.51 -41.87 99.13 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.191 -0.458 . . . . 1.37 110.689 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.657 ' NE ' HG22 ' B' ' 82' ' ' VAL . 68.5 mtm-85 -64.35 -33.41 75.78 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 116.149 -0.478 . . . . 1.87 111.03 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.642 HG23 ' O ' ' B' ' 49' ' ' ALA . 47.9 t -61.09 -45.79 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 N-CA-C 109.923 -0.399 . . . . 0.21 109.923 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -59.01 -45.75 89.9 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.33 -0.395 . . . . 1.19 110.598 179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.69 -37.22 83.34 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 1.23 110.757 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.8 -34.44 77.29 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.213 -0.449 . . . . 0.18 110.725 177.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 61' ' ' VAL . 48.0 t -63.56 -52.58 55.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.391 -0.368 . . . . 0.15 110.212 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 18.2 t -59.12 -39.82 83.52 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.419 -0.355 . . . . 0.95 111.087 -176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 49.6 m -65.35 -51.38 60.89 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.396 -0.366 . . . . 1.23 111.008 -177.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.3 mt -66.94 -40.15 87.49 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.347 -0.388 . . . . 0.21 110.95 -177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 57' ' ' VAL . 85.4 t -65.3 -47.3 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.174 -0.466 . . . . 0.22 110.901 -175.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -72.95 -43.36 62.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.572 -0.286 . . . . 1.31 111.225 -174.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -78.66 -38.11 40.26 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.528 -0.305 . . . . 0.24 111.099 -176.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.08 103.06 0.39 Allowed Glycine 0 CA--C 1.533 1.171 0 N-CA-C 110.694 -0.963 . . . . 0.18 110.694 -177.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -42.64 -32.51 2.43 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.474 2.116 . . . . 0.3 114.109 -178.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.679 HG21 ' HA2' ' A' ' 111' ' ' GLY . 73.1 p -125.61 31.93 5.42 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.706 0.288 . . . . 0.51 111.473 -173.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.402 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.3 t-20 -96.71 142.58 28.57 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.419 -0.355 . . . . 0.56 110.651 179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.9 -43.44 98.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.444 -0.344 . . . . 0.75 110.519 177.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.96 -44.43 80.58 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.853 -177.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.87 -43.36 93.2 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.257 -0.429 . . . . 0.21 110.912 -177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 37.9 mt -63.47 -41.26 98.61 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-N 116.374 -0.375 . . . . 0.25 110.857 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -60.6 -39.24 87.42 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.576 -0.283 . . . . 0.18 110.726 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -62.99 -40.66 98.44 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.11 -0.495 . . . . 0.98 110.879 178.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.5 m -65.43 -47.17 77.17 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.228 -0.442 . . . . 0.29 110.956 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.629 ' O ' HG23 ' B' ' 79' ' ' VAL . 51.3 mm -62.43 -45.73 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 116.684 -0.235 . . . . 1.01 110.747 -177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.1 t -60.77 -51.43 69.39 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.76 0.314 . . . . 1.25 110.919 -177.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.8 t -63.08 -47.18 83.98 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.054 -0.521 . . . . 1.39 111.189 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.9 t -63.62 -47.54 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 116.241 -0.436 . . . . 0.23 110.653 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.629 HG23 ' O ' ' B' ' 75' ' ' ILE . 92.2 t -59.65 -42.19 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.602 -0.272 . . . . 0.16 110.612 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.7 m -60.41 -53.85 52.6 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.287 -0.415 . . . . 1.08 111.112 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -66.58 -36.92 83.8 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.097 -0.501 . . . . 0.93 111.411 -174.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.74 HG23 ' O ' ' B' ' 78' ' ' VAL . 60.8 t -62.69 -35.66 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.385 -0.228 . . . . 0.22 110.385 178.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.7 m -65.2 -37.88 88.72 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.301 -0.409 . . . . 1.19 110.703 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.45 -41.68 98.93 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.088 -0.505 . . . . 0.29 111.124 -178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.89 -35.71 67.17 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.362 -0.381 . . . . 0.27 110.68 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.646 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.02 71.06 1.3 Allowed Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.957 -174.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.45 -34.79 0.96 Allowed 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.662 1.575 . . . . 0.19 112.035 168.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.83 76.14 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.505 -0.638 . . . . 0.18 111.505 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.646 HD12 ' HB3' ' B' ' 86' ' ' ASN . 44.8 mt -78.88 154.06 30.03 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.787 0.327 . . . . 0.21 110.809 -177.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.12 163.45 20.13 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.009 -0.541 . . . . 0.19 110.79 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.29 -40.7 96.25 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.484 -0.647 . . . . 0.14 111.484 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.3 t -65.85 -35.93 82.03 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 121.118 -0.233 . . . . 0.11 110.732 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -61.26 -39.19 89.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.532 -0.304 . . . . 0.15 110.852 177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 34.2 t -62.99 -43.22 98.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.311 -0.404 . . . . 0.15 110.322 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.717 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.5 tp -63.16 -41.61 99.27 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.819 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.613 HG23 ' O ' ' B' ' 92' ' ' CYS . 55.9 t -60.62 -44.68 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.309 -0.405 . . . . 0.13 110.149 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.54 ' O ' HD23 ' B' ' 100' ' ' LEU . 39.2 tp60 -64.31 -43.02 95.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.992 -0.549 . . . . 1.11 111.169 -174.391 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.821 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.26 -43.2 92.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.259 -0.428 . . . . 0.1 110.927 -179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.517 HD22 ' CB ' ' A' ' 100' ' ' LEU . 83.2 mt -66.28 -52.01 51.68 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.442 -0.345 . . . . 0.23 111.507 -172.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.554 ' CD1' HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -69.55 -29.96 67.65 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.337 -0.545 . . . . 0.48 110.944 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -64.35 -32.46 74.07 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 121.036 -0.266 . . . . 1.1 110.645 174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.821 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.7 t -66.9 -36.03 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 109.874 -0.417 . . . . 0.13 109.874 173.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 107' ' ' VAL . 29.3 t -61.67 -42.78 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.415 -0.357 . . . . 0.09 110.052 178.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.65 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.3 p -66.43 -37.98 86.39 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.261 -0.427 . . . . 0.27 111.224 -178.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.52 -44.22 96.91 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.753 0.311 . . . . 0.15 110.521 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.5 ' CD1' HG13 ' A' ' 103' ' ' VAL . 49.0 mt -65.59 -35.57 81.22 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.016 -0.538 . . . . 0.11 110.851 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 103' ' ' VAL . 91.1 t -61.7 -41.04 88.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 110.28 -0.267 . . . . 0.12 110.28 176.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 17.8 m -61.03 -41.95 97.53 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.356 -0.384 . . . . 0.14 110.763 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.54 -42.94 96.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.196 -0.456 . . . . 0.16 110.255 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.488 ' C ' HG21 ' A' ' 66' ' ' THR . 82.0 mt -63.54 -43.4 97.2 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.39 -0.368 . . . . 0.16 111.238 -178.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.655 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.86 -39.69 96.74 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.311 -0.716 . . . . 0.23 111.311 -176.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 95.0 p -83.43 -22.05 32.76 Favored 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 111.606 0.224 . . . . 0.28 111.606 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.423 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.7 p -93.72 166.79 12.04 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.77 0.319 . . . . 0.14 111.035 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.1 m -98.79 138.86 35.33 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.887 -0.597 . . . . 0.09 110.475 -177.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.86 118.41 44.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.304 -179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.03 -124.09 5.08 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.689 -0.964 . . . . 0.3 110.689 178.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -96.7 129.36 44.12 Favored 'General case' 0 C--O 1.232 0.153 0 N-CA-C 110.103 -0.332 . . . . 2.06 110.103 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.509 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.64 119.34 40.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.413 -177.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -77.2 98.8 5.22 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.092 -0.503 . . . . 0.67 109.942 175.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -66.11 -41.3 90.75 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.922 -0.581 . . . . 1.26 111.277 -171.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.52 -34.63 89.68 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.622 -0.591 . . . . 0.21 111.622 -176.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -7.3 53.52 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.152 0.427 . . . . 0.18 112.152 -176.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.7 p -56.79 -34.77 67.98 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.617 0.246 . . . . 0.17 111.027 -178.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.37 -36.4 83.87 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.224 -0.443 . . . . 0.19 110.839 178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -65.03 -43.19 93.21 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.343 -0.39 . . . . 1.12 110.637 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -64.96 -31.15 72.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.264 -0.425 . . . . 1.22 110.894 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.527 ' OG1' HG11 ' A' ' 53' ' ' VAL . 16.7 m -60.56 -39.1 86.75 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.424 -0.353 . . . . 0.21 110.302 173.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -64.7 -34.13 77.58 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.992 -0.549 . . . . 1.64 110.865 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 80.4 mtp -61.02 -46.95 88.67 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.651 0.263 . . . . 0.44 110.913 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.661 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.6 t -66.17 -47.72 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 116.352 -0.385 . . . . 0.16 110.517 -178.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -37.97 83.6 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 111.235 -0.746 . . . . 0.18 111.235 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -64.81 -43.95 91.46 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.493 0.187 . . . . 1.21 111.053 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 88.3 p -62.86 -37.46 86.95 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.443 -0.344 . . . . 0.24 110.945 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.78 HG13 ' HB1' ' A' ' 37' ' ' ALA . 94.5 t -64.92 -51.13 70.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.422 -0.354 . . . . 0.24 110.489 179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.8 83.43 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.157 -174.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -67.23 -44.37 79.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.333 -0.394 . . . . 2.28 111.291 -175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -68.09 -43.32 78.76 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.453 -0.339 . . . . 0.36 111.259 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.748 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.8 mp -99.0 -8.41 25.41 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.198 0.444 . . . . 0.87 112.198 -175.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -160.34 41.21 0.18 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.993 0.425 . . . . 1.16 110.633 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.012 -1.438 . . . . 2.35 110.929 179.689 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.353 -0.61 . . . . 36.65 109.353 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.34 143.24 28.29 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.19 -0.459 . . . . 37.14 110.608 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.8 t -116.28 143.94 44.88 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.224 -0.444 . . . . 36.26 110.574 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.49 -35.06 79.73 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.27 -0.423 . . . . 36.12 110.885 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -116.28 161.79 18.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.368 -0.378 . . . . 35.35 110.516 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 85.57 -168.41 41.9 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.88 -0.888 . . . . 34.84 110.88 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.5 -64.64 0.48 Allowed Glycine 0 CA--C 1.526 0.774 0 N-CA-C 110.933 -0.867 . . . . 34.37 110.933 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 59.81 34.4 21.87 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.888 0.375 . . . . 34.86 111.018 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 60.54 41.49 15.51 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.234 -0.439 . . . . 33.57 110.823 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 88.2 mmm -100.53 165.6 11.34 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.003 -0.544 . . . . 32.05 110.558 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 82.12 36.74 17.23 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.983 -0.847 . . . . 30.8 110.983 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.4 mtp85 -68.41 148.68 50.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.718 0.294 . . . . 30.94 110.659 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.03 119.14 3.51 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.795 -0.922 . . . . 29.08 110.795 -179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -65.61 -47.22 76.42 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.581 0.229 . . . . 27.99 110.837 -179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mmm -69.84 -49.37 53.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.282 -0.417 . . . . 27.87 110.584 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.94 33.15 86.48 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.249 -0.74 . . . . 26.05 111.249 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.34 -64.58 1.23 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.582 0.229 . . . . 24.72 110.763 -178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.2 38.01 2.52 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.251 -0.431 . . . . 23.32 110.539 -177.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -106.48 143.93 33.89 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.179 -0.464 . . . . 22.02 110.491 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -104.75 150.67 24.56 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.117 -0.492 . . . . 21.23 110.539 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.89 99.78 5.32 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.252 -0.431 . . . . 19.47 110.496 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -127.71 135.33 63.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.13 -0.487 . . . . 17.85 110.047 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.0 p -75.22 155.25 37.02 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.245 -0.434 . . . . 14.96 110.546 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -130.59 136.0 59.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-N 116.23 -0.441 . . . . 14.71 110.123 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.96 48.73 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.045 -0.822 . . . . 11.62 111.045 179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -149.08 35.81 1.06 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.967 -0.853 . . . . 9.69 110.967 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.11 29.24 7.83 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 120.6 0.238 . . . . 14.31 110.936 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.11 60.26 6.17 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.998 -0.841 . . . . 7.32 110.998 -178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -72.2 149.39 51.6 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 121.766 1.644 . . . . 5.74 112.135 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -97.38 47.5 1.03 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.155 -0.475 . . . . 8.09 110.407 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.8 t -59.53 -72.17 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.055 -0.52 . . . . 3.07 111.358 -178.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.5 p -123.87 47.14 2.1 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.067 0.46 . . . . 2.27 110.593 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 t -88.21 -38.64 15.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.953 -0.567 . . . . 0.79 110.503 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.717 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -67.04 -58.94 8.32 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.097 -0.501 . . . . 0.47 111.55 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 34' ' ' ALA . 29.3 Cg_endo -59.15 -20.92 56.92 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 121.359 1.373 . . . . 0.44 112.715 -164.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.539 HG12 HD22 ' B' ' 95' ' ' LEU . 22.3 t -64.61 -52.05 59.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.747 0.308 . . . . 0.31 110.172 177.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.846 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.49 -34.47 78.34 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.274 -0.421 . . . . 0.24 110.689 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 t -61.47 -43.29 99.13 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.841 0.353 . . . . 1.14 110.876 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -38.82 90.53 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.14 -0.482 . . . . 0.24 110.668 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.3 90.59 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.246 -0.433 . . . . 0.18 111.016 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.67 80.35 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.848 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -63.93 -49.65 71.76 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.492 -0.322 . . . . 1.26 110.837 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.22 -22.85 57.63 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.383 -0.371 . . . . 2.91 111.42 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 4.4 tp -61.34 -32.32 72.21 Favored 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 110.175 -0.305 . . . . 0.16 110.175 166.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 t -76.0 -18.4 59.29 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 111.74 0.274 . . . . 1.35 111.74 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.3 p -63.02 152.08 84.61 Favored Pre-proline 0 N--CA 1.466 0.339 0 C-N-CA 121.311 -0.155 . . . . 0.25 111.1 -178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.73 -32.17 74.97 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.953 1.769 . . . . 0.57 112.335 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.01 97.59 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.285 -0.416 . . . . 0.41 110.626 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.41 -44.47 82.89 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.193 -0.458 . . . . 0.29 110.769 -179.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.6 m -59.54 -41.95 91.23 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.436 -0.347 . . . . 1.2 111.083 -178.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -62.8 -42.18 99.6 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.086 -0.507 . . . . 1.37 110.89 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.674 ' NE ' HG22 ' A' ' 82' ' ' VAL . 74.7 mtm-85 -64.4 -35.66 81.63 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.316 -0.402 . . . . 1.87 111.054 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 49' ' ' ALA . 62.5 t -61.46 -45.18 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 116.522 -0.308 . . . . 0.21 110.206 178.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.16 -45.1 91.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.245 -0.434 . . . . 1.19 110.735 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.8 m -61.63 -36.42 80.71 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.841 -0.618 . . . . 1.23 110.652 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.7 -34.08 76.41 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.275 -0.42 . . . . 0.18 110.807 176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' VAL . 39.6 t -63.62 -53.45 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.456 -0.338 . . . . 0.15 110.141 178.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.62 -38.71 82.03 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.316 -0.402 . . . . 0.95 111.089 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.96 -49.91 68.49 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.376 -0.374 . . . . 1.23 110.965 -177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 70.7 mt -66.89 -39.41 87.45 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.392 -0.367 . . . . 0.21 110.981 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.3 t -65.5 -48.75 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 116.226 -0.443 . . . . 0.22 110.987 -176.106 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 m -74.15 -43.17 58.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.535 -0.302 . . . . 1.31 111.215 -174.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.99 -38.29 61.65 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.531 -0.304 . . . . 0.24 110.959 -177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.69 106.35 0.64 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.594 -1.002 . . . . 0.18 110.594 -177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 99.7 Cg_exo -42.43 -32.36 2.19 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.444 2.096 . . . . 0.3 114.048 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.735 HG21 ' HA2' ' B' ' 111' ' ' GLY . 81.3 p -125.27 30.79 5.73 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.606 0.241 . . . . 0.51 111.567 -174.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.448 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.0 t-20 -95.28 140.5 30.08 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.613 -0.267 . . . . 0.56 110.801 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -62.75 -44.52 95.98 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.45 -0.341 . . . . 0.75 110.468 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.448 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.39 -38.41 87.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.119 -0.491 . . . . 0.19 110.829 -178.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.85 -43.74 82.85 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.221 -0.445 . . . . 0.21 110.839 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.0 -40.73 98.65 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.892 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.48 -41.81 99.05 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.443 -0.344 . . . . 0.18 110.93 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.75 -45.6 89.1 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.256 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.67 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.8 m -65.01 -46.1 82.77 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.282 -0.417 . . . . 0.29 110.829 -177.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.672 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.1 mt -63.1 -46.13 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 CA-C-N 116.576 -0.284 . . . . 1.01 110.65 -177.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.5 t -61.08 -50.21 74.2 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.895 0.379 . . . . 1.25 110.867 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.66 -46.09 89.82 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.862 -0.608 . . . . 1.39 111.193 -176.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.0 t -64.02 -46.82 92.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.273 -0.421 . . . . 0.23 110.641 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 75' ' ' ILE . 99.9 t -58.54 -42.65 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.793 0.33 . . . . 0.16 110.592 -177.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -60.27 -53.9 52.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.167 -0.47 . . . . 1.08 110.99 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -67.04 -35.56 80.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.94 -0.573 . . . . 0.93 111.39 -174.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.3 t -62.96 -36.3 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 N-CA-C 110.374 -0.232 . . . . 0.22 110.374 178.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.451 ' OG ' HG11 ' A' ' 94' ' ' VAL . 5.0 m -64.46 -38.24 90.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.35 -0.386 . . . . 1.19 110.822 174.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.21 -42.01 98.91 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.139 -0.482 . . . . 0.29 111.179 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.36 -36.08 66.06 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.343 -0.39 . . . . 0.27 110.554 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.554 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.16 71.83 1.12 Allowed Pre-proline 0 CA--C 1.537 0.442 0 CA-C-N 116.133 -0.485 . . . . 0.23 110.97 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -77.89 -32.02 2.83 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.672 1.581 . . . . 0.19 112.003 168.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.45 78.04 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.476 -0.65 . . . . 0.18 111.476 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 86' ' ' ASN . 83.7 mt -80.31 152.95 28.72 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.656 0.265 . . . . 0.21 110.734 -177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -68.84 163.59 23.88 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.108 -0.496 . . . . 0.19 110.635 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -37.5 90.22 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.368 -0.693 . . . . 0.14 111.368 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 96' ' ' VAL . 8.7 t -66.45 -37.82 85.99 Favored 'General case' 0 N--CA 1.462 0.126 0 C-N-CA 121.047 -0.261 . . . . 0.11 110.736 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.17 -36.14 79.03 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.59 -0.277 . . . . 0.15 110.877 177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.451 HG11 ' OG ' ' A' ' 83' ' ' SER . 22.7 t -61.83 -44.73 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 177.368 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.575 HD22 HG12 ' B' ' 36' ' ' VAL . 20.1 tp -63.52 -40.58 97.42 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.136 -0.484 . . . . 0.18 110.906 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 92' ' ' CYS . 56.8 t -60.57 -47.29 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.491 -0.322 . . . . 0.13 110.171 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.531 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.7 tp60 -63.7 -43.25 97.17 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.941 -0.572 . . . . 1.11 111.315 -174.077 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.81 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.29 -43.15 92.05 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.327 -0.397 . . . . 0.1 110.954 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.505 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.3 mt -67.06 -50.7 61.0 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 121.02 -0.272 . . . . 0.23 111.674 -172.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -71.17 -29.77 65.6 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 120.115 -0.634 . . . . 0.48 110.603 -175.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -64.73 -31.73 73.09 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 121.005 -0.278 . . . . 1.1 110.674 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 98' ' ' ALA . 39.1 t -66.75 -36.56 77.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 N-CA-C 109.994 -0.373 . . . . 0.13 109.994 172.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.9 t -60.93 -42.23 92.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.317 -0.402 . . . . 0.09 110.031 177.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.761 ' HA ' HG21 ' B' ' 130' ' ' VAL . 91.2 p -67.3 -37.39 83.3 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.209 -0.451 . . . . 0.27 111.265 -178.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.18 97.48 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.944 0.402 . . . . 0.15 110.352 177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD22 ' CD1' ' B' ' 110' ' ' LEU . 33.1 mt -65.32 -35.24 80.38 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.11 111.099 178.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 103' ' ' VAL . 89.6 t -61.29 -42.64 94.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 N-CA-C 110.265 -0.272 . . . . 0.12 110.265 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 22.1 m -60.87 -42.25 97.55 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.308 -0.405 . . . . 0.14 110.873 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -63.77 -43.03 97.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.081 -0.509 . . . . 0.16 110.371 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.597 ' CD1' HD22 ' B' ' 106' ' ' LEU . 42.8 mt -63.22 -42.24 99.24 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.462 -0.335 . . . . 0.16 111.28 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.727 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.48 -39.3 95.59 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.371 -0.692 . . . . 0.23 111.371 -177.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.2 p -84.26 -21.78 31.0 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 111.779 0.289 . . . . 0.28 111.779 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.405 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 95.3 p -94.55 166.34 12.08 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.862 0.363 . . . . 0.14 110.818 -176.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.9 m -100.07 139.16 36.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.799 -0.637 . . . . 0.09 110.504 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.11 119.73 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.13 110.377 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.71 -127.88 6.1 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.663 -0.975 . . . . 0.3 110.663 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -94.96 129.19 42.11 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 110.072 -0.344 . . . . 2.06 110.072 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.512 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -91.45 117.02 33.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-N 116.363 -0.38 . . . . 1.21 110.334 -177.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -76.27 98.34 4.44 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.147 -0.478 . . . . 0.67 109.805 175.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.76 -40.29 91.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 1.26 111.21 -170.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.77 -36.23 91.98 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.528 -0.629 . . . . 0.21 111.528 -176.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.47 -10.61 59.91 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 111.9 0.333 . . . . 0.18 111.9 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.2 p -57.53 -34.9 69.61 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.736 0.303 . . . . 0.17 110.945 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.22 -35.75 82.02 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.234 -0.439 . . . . 0.19 110.926 178.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -64.97 -43.39 92.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.913 0.387 . . . . 1.12 110.39 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -62.78 -31.68 72.7 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.194 -0.457 . . . . 1.22 110.92 175.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 2.8 m -59.7 -40.6 88.45 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.333 -0.394 . . . . 0.21 110.54 173.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.68 -34.14 77.19 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 115.943 -0.571 . . . . 1.64 111.009 176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.25 -47.9 83.9 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.583 -0.28 . . . . 0.44 110.883 179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.743 HG21 ' HA ' ' B' ' 104' ' ' SER . 60.0 t -65.92 -48.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.448 -0.342 . . . . 0.16 110.624 -177.285 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.53 -38.38 80.39 Favored Glycine 0 CA--C 1.532 1.101 0 N-CA-C 111.183 -0.767 . . . . 0.18 111.183 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -63.51 -44.05 95.42 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.603 0.239 . . . . 1.21 111.012 179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' A' ' 75' ' ' ILE . 82.9 p -62.63 -37.29 85.76 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 116.289 -0.414 . . . . 0.24 111.128 -177.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.777 HG13 ' HB1' ' B' ' 37' ' ' ALA . 71.4 t -64.93 -50.76 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.473 -0.331 . . . . 0.23 110.514 179.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -62.63 -49.0 76.92 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.419 -0.355 . . . . 0.27 111.099 -175.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -67.67 -40.58 84.42 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.117 -0.492 . . . . 2.28 111.054 -177.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.406 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -65.01 -43.08 93.71 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.385 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.865 HD22 ' HB3' ' B' ' 37' ' ' ALA . 7.2 mp -95.51 -8.27 35.7 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 112.053 0.39 . . . . 0.87 112.053 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.47 -36.22 68.42 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 121.118 -0.233 . . . . 1.16 110.559 178.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.693 0 CA-C-O 118.014 -1.437 . . . . 2.62 110.887 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptp . . . . . 0 N--CA 1.493 1.69 0 N-CA-C 109.392 -0.595 . . . . 33.16 109.392 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.02 153.43 40.74 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.155 -0.475 . . . . 32.82 110.526 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.2 p -154.78 -54.52 0.1 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.169 -0.469 . . . . 32.83 110.548 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.37 -36.74 84.91 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.228 -0.442 . . . . 34.46 110.825 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.6 t -137.92 153.54 49.5 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.285 -0.416 . . . . 31.75 110.625 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.45 152.29 0.41 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.971 -0.852 . . . . 30.32 110.971 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.33 49.21 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.868 -0.893 . . . . 29.16 110.868 179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -106.73 124.1 49.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.657 0.265 . . . . 29.37 110.503 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -102.56 127.65 49.54 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.154 -0.476 . . . . 29.22 110.442 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 86.8 mtp -97.81 142.27 29.78 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.272 -0.422 . . . . 27.3 110.538 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 175.62 94.87 0.1 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.951 -0.86 . . . . 26.28 110.951 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -65.73 -36.28 83.15 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.632 0.253 . . . . 27.96 110.808 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 142.13 -119.68 1.48 Allowed Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.903 -0.879 . . . . 25.39 110.903 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 84.7 p -69.82 165.2 22.0 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.681 0.277 . . . . 25.26 110.527 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.8 mmm -91.32 151.53 20.83 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.201 -0.454 . . . . 25.89 110.532 -179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -145.91 -172.11 15.99 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.897 -0.881 . . . . 24.22 110.897 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.09 139.39 56.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.634 0.255 . . . . 23.68 110.63 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.26 163.71 39.41 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.198 -0.456 . . . . 22.43 110.615 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 30.6 t -68.83 163.23 24.69 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.252 -0.431 . . . . 21.41 110.512 179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.71 30.26 3.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.164 -0.471 . . . . 20.15 111.073 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.32 141.91 40.98 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.56 -0.291 . . . . 19.42 110.474 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.7 t -121.58 126.43 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.319 -0.4 . . . . 18.26 110.154 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 34.7 m -90.23 -37.19 14.29 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.166 -0.47 . . . . 17.23 110.617 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -120.79 139.72 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.206 -0.452 . . . . 16.38 110.14 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.28 -125.06 0.02 OUTLIER Glycine 0 CA--C 1.526 0.762 0 N-CA-C 111.029 -0.828 . . . . 14.42 111.029 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -141.56 -179.36 18.63 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.916 -0.874 . . . . 12.9 110.916 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -112.87 152.28 29.45 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.655 0.264 . . . . 12.61 110.516 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -106.26 89.56 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.949 -0.86 . . . . 8.77 110.949 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.43 173.57 9.55 Favored 'Trans proline' 0 N--CA 1.497 1.682 0 C-N-CA 121.757 1.638 . . . . 7.53 112.003 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -62.79 -35.48 80.02 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.241 -0.436 . . . . 8.51 110.971 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 88.6 p -130.96 148.76 52.76 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.211 -0.45 . . . . 5.0 110.492 179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 1.4 m -156.67 91.82 1.25 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.249 -0.432 . . . . 3.86 110.411 179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 22.9 m -81.15 -35.25 31.75 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.129 -0.487 . . . . 1.67 111.067 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.721 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -64.7 -59.25 10.87 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.467 -0.333 . . . . 0.47 111.639 -175.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' B' ' 34' ' ' ALA . 28.6 Cg_endo -58.98 -21.08 56.51 Favored 'Trans proline' 0 N--CA 1.499 1.799 0 C-N-CA 121.452 1.435 . . . . 0.44 112.737 -164.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.575 HG12 HD22 ' A' ' 95' ' ' LEU . 22.7 t -64.58 -51.92 61.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 110.174 -0.306 . . . . 0.32 110.174 177.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.865 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.67 -34.33 77.96 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.199 -0.455 . . . . 0.24 110.676 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -61.51 -43.28 99.14 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.389 -0.368 . . . . 1.14 110.737 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.77 -38.44 89.05 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.148 -0.478 . . . . 0.24 110.613 179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.1 -38.19 90.15 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.18 110.862 179.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.71 -37.51 79.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.18 -0.464 . . . . 0.17 110.81 179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.9 p -64.04 -49.56 71.88 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.461 -0.336 . . . . 1.26 110.867 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -75.69 -21.96 57.11 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 116.386 -0.37 . . . . 2.91 111.458 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 4.6 tp -61.65 -32.78 72.96 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 110.027 -0.36 . . . . 0.16 110.027 166.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 22.8 t -75.51 -18.59 59.77 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.51 -0.314 . . . . 1.35 111.818 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.2 p -62.95 152.35 83.6 Favored Pre-proline 0 N--CA 1.466 0.35 0 C-N-CA 121.254 -0.179 . . . . 0.25 111.038 -178.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.98 -32.09 77.24 Favored 'Trans proline' 0 N--CA 1.499 1.822 0 C-N-CA 121.882 1.722 . . . . 0.58 112.338 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.8 -42.11 97.78 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.278 -0.419 . . . . 0.41 110.676 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.605 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.34 -44.46 83.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.121 -0.491 . . . . 0.29 110.682 -179.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 21.4 m -59.75 -41.89 91.99 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.445 -0.343 . . . . 1.2 110.983 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.1 m -62.78 -42.11 99.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.903 -179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.1 mtm-85 -64.46 -35.64 81.58 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.238 -0.437 . . . . 1.87 111.008 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.605 HG23 ' O ' ' B' ' 49' ' ' ALA . 63.7 t -61.57 -45.05 99.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-N 116.445 -0.343 . . . . 0.21 110.166 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.31 -45.19 92.0 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.292 -0.413 . . . . 1.19 110.687 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.3 m -61.45 -36.36 80.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.92 -0.582 . . . . 1.23 110.723 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.84 -34.14 76.71 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.18 110.76 176.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.665 ' O ' HG23 ' B' ' 61' ' ' VAL . 39.2 t -63.41 -53.5 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-N 116.398 -0.365 . . . . 0.15 110.166 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 22.5 t -59.72 -38.66 82.27 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.322 -0.399 . . . . 0.95 111.155 -177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 37.9 m -64.89 -49.94 68.53 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.356 -0.384 . . . . 1.23 111.02 -177.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 71.0 mt -66.83 -39.39 87.65 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.361 -0.382 . . . . 0.21 110.959 -178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.665 HG23 ' O ' ' B' ' 57' ' ' VAL . 94.3 t -65.68 -48.84 81.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.105 -0.498 . . . . 0.22 110.832 -175.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 20.7 m -73.85 -43.45 58.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.585 -0.279 . . . . 1.31 111.205 -174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 50.6 m -74.89 -38.32 61.9 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.483 -0.326 . . . . 0.24 110.971 -177.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.71 106.19 0.63 Allowed Glycine 0 CA--C 1.532 1.146 0 N-CA-C 110.582 -1.007 . . . . 0.18 110.582 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -42.31 -32.33 2.07 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 122.438 2.092 . . . . 0.3 114.101 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.727 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.7 p -125.34 31.06 5.65 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 120.603 0.239 . . . . 0.51 111.525 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.441 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.1 t-20 -95.66 140.44 30.48 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.558 -0.292 . . . . 0.56 110.671 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 14.1 tp60 -62.73 -44.52 96.0 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.342 -0.39 . . . . 0.75 110.487 177.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.441 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.35 -38.46 87.65 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.143 -0.481 . . . . 0.19 110.808 -178.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.72 83.52 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.213 -0.449 . . . . 0.21 110.864 -178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.22 -40.53 97.73 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.315 -0.402 . . . . 0.25 110.84 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.6 p -62.7 -41.56 99.19 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.405 -0.361 . . . . 0.18 110.858 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -64.06 -45.69 87.65 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.278 -0.419 . . . . 0.98 111.053 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.665 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.9 m -65.11 -46.0 82.84 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.342 -0.39 . . . . 0.29 110.803 -177.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.661 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.3 mt -63.05 -46.22 96.75 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.57 -0.286 . . . . 1.01 110.715 -177.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 19.2 t -60.85 -50.37 73.71 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.844 0.354 . . . . 1.25 110.942 -177.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.0 t -62.68 -46.07 89.89 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.045 -0.525 . . . . 1.39 111.159 -176.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.756 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.0 t -64.11 -46.76 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.33 -0.395 . . . . 0.23 110.624 -176.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.661 HG23 ' O ' ' B' ' 75' ' ' ILE . 94.2 t -58.51 -42.56 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-O 120.689 0.281 . . . . 0.16 110.609 -177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -60.41 -53.86 52.53 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.165 -0.471 . . . . 1.08 111.026 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -67.03 -35.47 79.96 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.092 -0.504 . . . . 0.93 111.425 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.1 t -63.08 -35.84 73.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.348 -0.241 . . . . 0.22 110.348 178.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.447 ' OG ' HG11 ' B' ' 94' ' ' VAL . 5.1 m -65.08 -37.92 89.09 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.348 -0.387 . . . . 1.19 110.658 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.19 99.42 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.047 -0.524 . . . . 0.29 111.091 -178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.98 -35.65 66.92 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.429 -0.35 . . . . 0.27 110.668 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -112.76 71.63 1.28 Allowed Pre-proline 0 CA--C 1.536 0.414 0 CA-C-N 116.134 -0.485 . . . . 0.23 110.923 -174.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.92 -32.0 2.82 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 121.673 1.582 . . . . 0.19 111.993 168.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.97 -30.69 78.68 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 111.437 -0.665 . . . . 0.18 111.437 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 84.1 mt -80.07 152.82 29.15 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.749 0.309 . . . . 0.21 110.899 -177.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.2 m -68.7 163.51 23.75 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.139 -0.482 . . . . 0.19 110.682 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.75 -37.42 89.98 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.379 -0.688 . . . . 0.14 111.379 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.562 ' O ' HG23 ' B' ' 96' ' ' VAL . 8.7 t -66.5 -37.85 85.97 Favored 'General case' 0 C--O 1.231 0.121 0 C-N-CA 121.117 -0.233 . . . . 0.11 110.712 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -61.25 -35.98 78.73 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.572 -0.286 . . . . 0.15 110.766 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.447 HG11 ' OG ' ' B' ' 83' ' ' SER . 23.7 t -62.17 -44.5 99.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 CA-C-N 116.465 -0.334 . . . . 0.15 110.136 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.539 HD22 HG12 ' A' ' 36' ' ' VAL . 20.3 tp -63.75 -40.46 96.78 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.158 -0.474 . . . . 0.18 110.818 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.562 HG23 ' O ' ' B' ' 92' ' ' CYS . 57.6 t -60.66 -47.13 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.437 -0.347 . . . . 0.13 110.121 179.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.529 ' O ' HD23 ' B' ' 100' ' ' LEU . 42.8 tp60 -63.77 -43.19 97.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.933 -0.576 . . . . 1.11 111.28 -173.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.829 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.44 -43.11 91.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.1 110.937 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 100' ' ' LEU . 87.7 mt -66.46 -52.25 48.24 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.538 -0.301 . . . . 0.23 111.465 -173.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.529 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.83 -29.89 67.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 120.381 -0.527 . . . . 0.48 110.96 -176.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -64.9 -31.53 72.81 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 120.999 -0.28 . . . . 1.1 110.597 175.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.5 t -67.18 -36.2 76.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.847 -0.427 . . . . 0.13 109.847 173.141 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.682 ' O ' HG23 ' B' ' 107' ' ' VAL . 25.4 t -61.44 -42.0 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 N-CA-C 109.898 -0.408 . . . . 0.09 109.898 178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.743 ' HA ' HG21 ' A' ' 130' ' ' VAL . 90.7 p -67.5 -37.2 82.47 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.213 -0.448 . . . . 0.27 111.267 -178.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.81 -43.87 98.0 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.853 0.359 . . . . 0.15 110.365 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.597 HD22 ' CD1' ' A' ' 110' ' ' LEU . 33.3 mt -65.82 -34.96 79.35 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.917 -0.583 . . . . 0.11 110.949 179.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.682 HG23 ' O ' ' B' ' 103' ' ' VAL . 89.8 t -61.54 -42.26 93.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 110.258 -0.275 . . . . 0.12 110.258 177.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 23.1 m -61.35 -41.86 97.74 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.279 -0.418 . . . . 0.14 110.768 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -64.02 -42.82 96.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.173 -0.467 . . . . 0.16 110.297 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 106' ' ' LEU . 42.1 mt -63.32 -42.3 98.97 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.295 -0.412 . . . . 0.16 111.185 -178.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.735 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -65.2 -39.69 96.28 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.334 -0.707 . . . . 0.23 111.334 -177.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 89.7 p -84.05 -22.24 31.31 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.679 0.252 . . . . 0.28 111.679 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.425 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 94.5 p -93.69 166.86 12.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.838 0.351 . . . . 0.14 110.94 -176.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.2 m -100.53 139.12 36.66 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.965 -0.561 . . . . 0.09 110.429 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.17 119.76 46.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.361 -0.382 . . . . 0.13 110.328 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -99.66 -127.86 6.1 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.653 -0.979 . . . . 0.3 110.653 179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -95.02 129.06 42.25 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 110.112 -0.329 . . . . 2.06 110.112 176.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.508 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -91.3 117.01 33.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.357 -0.383 . . . . 1.21 110.442 -177.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -76.16 98.26 4.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.808 175.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.53 -40.4 92.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.937 -0.574 . . . . 1.26 111.373 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.71 -36.33 92.17 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.539 -0.624 . . . . 0.21 111.539 -176.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.27 -10.86 60.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.006 0.373 . . . . 0.18 112.006 -177.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.26 -34.77 68.97 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.648 0.261 . . . . 0.17 111.014 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.5 -35.78 81.91 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.318 -0.401 . . . . 0.19 110.813 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -64.7 -43.25 94.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.465 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 91.3 m-85 -63.52 -30.79 71.86 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.81 176.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.531 ' CG2' HG21 ' A' ' 53' ' ' VAL . 2.9 m -60.38 -40.21 90.02 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.364 -0.38 . . . . 0.21 110.489 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.04 -34.01 77.05 Favored 'General case' 0 CA--C 1.529 0.157 0 CA-C-N 116.011 -0.541 . . . . 1.64 110.827 176.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 69.2 mtp -61.44 -47.65 84.74 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.659 -0.246 . . . . 0.44 110.872 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.761 HG21 ' HA ' ' A' ' 104' ' ' SER . 60.1 t -66.18 -48.63 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.323 . . . . 0.16 110.63 -177.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.29 -38.48 78.56 Favored Glycine 0 CA--C 1.532 1.118 0 N-CA-C 111.247 -0.741 . . . . 0.18 111.247 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.54 -43.84 95.94 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.545 0.212 . . . . 1.21 110.951 179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . 0.44 ' HB2' HD12 ' B' ' 75' ' ' ILE . 83.2 p -62.9 -37.16 85.84 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.238 -0.437 . . . . 0.24 111.025 -177.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.747 HG13 ' HB1' ' A' ' 37' ' ' ALA . 74.6 t -65.03 -50.87 72.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.499 -0.319 . . . . 0.24 110.419 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.45 -48.94 77.45 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.437 -0.347 . . . . 0.27 111.144 -175.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.3 tt0 -67.93 -40.34 83.35 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.201 -0.454 . . . . 2.28 111.063 -177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.99 -43.31 93.01 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.36 111.388 -173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.846 HD22 ' HB3' ' A' ' 37' ' ' ALA . 7.2 mp -95.02 -9.1 34.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.075 0.398 . . . . 0.87 112.075 -176.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.88 -36.14 69.98 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 121.115 -0.234 . . . . 1.16 110.618 178.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.724 0 CA-C-O 118.065 -1.408 . . . . 2.35 110.909 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.38 -0.6 . . . . 36.65 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.66 145.79 52.12 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.219 -0.446 . . . . 37.14 110.548 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.2 m -119.64 146.78 45.25 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.259 -0.428 . . . . 36.26 110.537 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 72.5 mtm -131.06 154.62 48.05 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.192 -0.458 . . . . 36.12 110.573 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.2 m -66.17 -38.12 87.28 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.192 -0.458 . . . . 35.35 110.666 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 83.75 -168.03 45.03 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.938 -0.865 . . . . 34.84 110.938 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.65 163.36 27.6 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.927 -0.869 . . . . 34.37 110.927 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 -92.11 -67.11 0.87 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 120.571 0.224 . . . . 34.86 110.66 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -101.75 18.49 20.32 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.36 -0.382 . . . . 33.57 111.668 -178.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 82.1 mtp -68.46 -36.85 79.58 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 121.024 -0.27 . . . . 32.05 110.732 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 150.14 166.67 13.64 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.949 -0.86 . . . . 30.8 110.949 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -66.2 -36.45 83.1 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-O 120.62 0.248 . . . . 30.94 110.809 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 173.58 -175.06 46.31 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.002 -0.839 . . . . 29.08 111.002 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.3 m -121.34 149.1 43.45 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.599 0.238 . . . . 27.99 110.514 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 22.4 ptm -129.91 152.21 49.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.237 -0.438 . . . . 27.87 110.548 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -179.51 -176.1 46.86 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.995 -0.842 . . . . 26.05 110.995 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.26 146.37 28.1 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.661 0.267 . . . . 24.72 110.534 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.94 153.87 41.99 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.242 -0.436 . . . . 23.32 110.567 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -135.44 146.23 48.01 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.212 -0.449 . . . . 22.02 110.526 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.95 153.77 41.87 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.178 -0.464 . . . . 21.23 110.579 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.83 156.69 43.32 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.252 -0.431 . . . . 19.47 110.521 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -110.39 131.73 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 116.23 -0.441 . . . . 17.85 110.138 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 51.0 m -127.12 148.86 50.15 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.221 -0.445 . . . . 14.96 110.557 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.6 t -116.05 134.48 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-N 116.191 -0.459 . . . . 14.71 110.063 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.6 -128.93 1.66 Allowed Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.041 -0.823 . . . . 11.62 111.041 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.03 -34.38 89.78 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.302 -0.719 . . . . 9.69 111.302 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -101.22 32.96 3.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.646 0.26 . . . . 14.31 110.693 -179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -63.12 141.96 46.95 Favored Glycine 0 CA--C 1.531 1.08 0 N-CA-C 110.97 -0.852 . . . . 7.32 110.97 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -62.61 145.5 95.26 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 121.6 1.534 . . . . 5.74 112.017 -171.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -126.75 47.34 2.33 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.107 0.48 . . . . 8.09 110.405 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.7 t -114.37 140.94 48.24 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.931 -0.577 . . . . 3.07 110.449 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.9 44.62 1.18 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.17 0.51 . . . . 2.27 110.539 -178.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 t -67.98 -31.6 71.42 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.751 -0.658 . . . . 0.79 111.043 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.784 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -57.11 -59.3 13.1 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.489 -0.323 . . . . 0.47 111.605 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.9 Cg_endo -56.54 -23.14 46.54 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.569 1.513 . . . . 0.44 112.769 -176.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.618 HG12 HD22 ' B' ' 95' ' ' LEU . 21.3 t -64.29 -47.68 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 120.76 0.314 . . . . 0.31 110.208 178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.853 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.89 -34.01 77.16 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.369 -0.378 . . . . 0.24 110.805 177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -60.4 -45.07 94.88 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.43 -0.35 . . . . 1.14 110.853 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.37 91.62 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.115 -0.493 . . . . 0.24 110.612 178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.43 -36.21 82.99 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.215 -0.448 . . . . 0.18 111.034 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.06 84.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.238 -0.437 . . . . 0.17 110.733 179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.6 p -63.3 -48.67 77.11 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.416 -0.356 . . . . 1.26 110.869 -177.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 -75.08 -23.1 57.95 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 120.732 -0.387 . . . . 2.91 111.328 178.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 5.2 tp -63.28 -32.25 73.61 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 110.362 -0.236 . . . . 0.16 110.362 171.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.8 m -80.2 -1.06 38.86 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.972 0.36 . . . . 1.35 111.972 178.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.8 p -66.94 152.17 96.17 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 121.238 -0.185 . . . . 0.25 110.744 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -55.15 -34.22 86.87 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 121.871 1.714 . . . . 0.57 112.299 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.7 98.65 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.369 -0.378 . . . . 0.41 110.778 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.591 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.03 -45.41 81.55 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.14 -0.482 . . . . 0.29 110.769 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.8 m -58.45 -41.68 85.65 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.835 0.35 . . . . 1.2 110.994 -177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.2 p -63.03 -39.55 95.08 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.019 -0.537 . . . . 1.37 110.659 179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.664 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.4 mtm-85 -65.87 -32.41 73.91 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.228 -0.442 . . . . 1.87 111.108 177.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 49' ' ' ALA . 51.9 t -61.71 -47.76 91.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.959 -0.385 . . . . 0.21 109.959 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.9 p -60.1 -41.69 93.07 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.953 0.406 . . . . 1.19 110.759 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -62.41 -37.15 84.68 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.944 -0.571 . . . . 1.23 110.594 178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.75 -33.84 75.97 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.229 -0.441 . . . . 0.18 110.879 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 61' ' ' VAL . 42.8 t -63.15 -51.4 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.443 -0.344 . . . . 0.15 110.164 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.32 -39.72 88.03 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.321 -0.4 . . . . 0.95 111.207 -177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.0 m -65.52 -50.82 63.83 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.036 -177.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.97 -40.77 87.51 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.433 -0.349 . . . . 0.21 110.991 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 57' ' ' VAL . 91.5 t -65.69 -46.95 87.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 CA-C-N 116.241 -0.436 . . . . 0.22 110.97 -176.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -74.47 -42.99 58.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.609 -0.269 . . . . 1.31 111.14 -174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.0 m -74.43 -38.65 62.96 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.954 -177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.27 107.96 0.73 Allowed Glycine 0 CA--C 1.532 1.123 0 N-CA-C 110.686 -0.966 . . . . 0.18 110.686 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -43.15 -31.78 2.69 Favored 'Trans proline' 0 N--CA 1.501 1.952 0 C-N-CA 122.313 2.009 . . . . 0.3 113.974 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.755 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.2 p -122.21 29.51 6.98 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.663 0.246 . . . . 0.51 111.663 -173.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.521 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.5 t30 -97.39 137.93 35.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.626 -0.261 . . . . 0.56 110.879 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -63.05 -42.88 99.81 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.422 -0.354 . . . . 0.75 110.533 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.521 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.35 -37.0 84.32 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.074 -0.512 . . . . 0.19 110.758 -178.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.95 -45.15 78.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.295 -0.411 . . . . 0.21 110.894 -178.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.87 -40.3 97.1 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.438 -0.346 . . . . 0.25 110.857 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.1 p -62.23 -41.35 98.33 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.468 -0.333 . . . . 0.18 110.988 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -63.56 -44.32 94.46 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.289 -0.414 . . . . 0.98 111.203 -179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.641 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.2 m -64.82 -44.54 89.54 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.196 -0.456 . . . . 0.29 110.797 -177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.646 ' O ' HG23 ' A' ' 79' ' ' VAL . 52.3 mt -62.56 -47.84 91.05 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.587 -0.279 . . . . 1.01 110.617 -177.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.8 p -61.25 -49.32 77.56 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.876 0.369 . . . . 1.25 110.981 -177.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -63.73 -47.51 80.78 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.977 -0.556 . . . . 1.39 111.134 -176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.749 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.4 t -64.03 -46.53 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 116.365 -0.38 . . . . 0.23 110.667 -176.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.6 t -59.26 -42.22 86.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-O 120.717 0.294 . . . . 0.16 110.499 -177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.6 t -60.59 -54.07 49.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.294 -0.412 . . . . 1.08 111.123 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -66.83 -36.55 82.6 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.957 -0.565 . . . . 0.93 111.405 -174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.7 t -62.92 -35.5 71.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 C-N-CA 121.152 -0.219 . . . . 0.22 110.461 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 m -64.53 -38.72 92.0 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.314 -0.403 . . . . 1.19 110.822 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.23 97.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.082 -0.508 . . . . 0.29 111.202 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -73.45 -36.57 65.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.274 -0.421 . . . . 0.27 110.466 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.549 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.36 71.54 1.15 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.138 -0.483 . . . . 0.23 111.011 -174.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -78.56 -32.92 1.95 Allowed 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.635 1.557 . . . . 0.19 112.038 168.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.88 -29.81 76.32 Favored Glycine 0 CA--C 1.529 0.929 0 N-CA-C 111.595 -0.602 . . . . 0.18 111.595 179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.549 HD12 ' HB3' ' A' ' 86' ' ' ASN . 81.1 mt -79.74 152.09 30.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.673 0.273 . . . . 0.21 110.803 -177.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.5 m -67.2 164.36 18.34 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.121 -0.49 . . . . 0.19 110.712 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.84 -40.26 94.91 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.507 -0.637 . . . . 0.14 111.507 -177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.5 t -66.07 -36.62 83.69 Favored 'General case' 0 N--CA 1.462 0.166 0 C-N-CA 121.075 -0.25 . . . . 0.11 110.658 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -61.15 -38.46 86.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.593 -0.276 . . . . 0.15 110.886 177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 30.8 t -62.79 -43.63 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.358 -0.383 . . . . 0.15 110.418 178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.784 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.8 tp -63.3 -40.89 98.62 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.203 -0.453 . . . . 0.18 110.84 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 92' ' ' CYS . 55.8 t -60.09 -45.0 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-O 120.851 0.358 . . . . 0.13 110.128 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.558 ' HB3' HG11 ' A' ' 82' ' ' VAL . 39.8 tp60 -64.4 -43.71 93.54 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.916 -0.584 . . . . 1.11 111.299 -174.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.814 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -64.84 -42.89 94.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.349 -0.387 . . . . 0.1 111.008 -179.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' HG13 ' B' ' 96' ' ' VAL . 83.9 mt -67.2 -50.55 60.46 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 121.016 -0.274 . . . . 0.23 111.672 -172.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.58 -29.99 66.57 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 120.161 -0.615 . . . . 0.48 110.536 -176.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.76 -33.62 76.08 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 121.027 -0.269 . . . . 1.1 110.771 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 98' ' ' ALA . 38.7 t -65.71 -37.58 80.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 N-CA-C 109.834 -0.432 . . . . 0.13 109.834 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -59.59 -43.52 91.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.09 109.876 177.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.786 ' HA ' HG21 ' B' ' 130' ' ' VAL . 73.7 p -64.75 -40.94 96.13 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.133 -0.485 . . . . 0.27 111.353 -177.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.11 95.6 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.962 0.411 . . . . 0.15 110.5 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' B' ' 106' ' ' LEU . 61.0 mt -65.27 -36.3 83.69 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.907 -0.588 . . . . 0.11 111.256 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.5 t -61.2 -41.76 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 110.116 -0.327 . . . . 0.12 110.116 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.8 m -60.14 -40.31 89.35 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.233 -0.439 . . . . 0.14 110.896 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 106' ' ' LEU . 66.1 mt -63.81 -41.57 93.0 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 CA-C-N 116.124 -0.489 . . . . 0.16 110.464 178.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.32 -43.57 97.42 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-N 116.558 -0.292 . . . . 0.16 111.293 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.747 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -64.98 -39.32 96.37 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.36 -0.696 . . . . 0.23 111.36 -177.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 87.3 p -79.62 -26.19 41.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.5 0.19 . . . . 0.28 111.455 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.0 p -94.56 166.15 12.18 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.925 0.393 . . . . 0.14 111.028 -175.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.6 m -101.95 142.98 32.4 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.777 -0.647 . . . . 0.09 110.431 -178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.61 128.04 49.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.41 -0.359 . . . . 0.13 110.438 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.42 -126.63 5.68 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.804 -0.918 . . . . 0.3 110.804 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.54 124.19 41.7 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.274 -0.269 . . . . 2.06 110.274 178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.4 mm -75.33 128.77 37.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 CA-C-N 116.312 -0.404 . . . . 1.21 110.59 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -90.73 88.84 7.25 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 109.598 -0.519 . . . . 0.67 109.598 173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.25 -39.38 89.45 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.799 -0.637 . . . . 1.26 111.288 -168.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.74 90.19 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.43 -1.39 37.1 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.326 0.491 . . . . 0.18 112.326 -176.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.6 p -57.96 -36.89 73.21 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 120.811 0.339 . . . . 0.17 110.927 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.5 81.09 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.985 178.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -64.66 -42.78 95.18 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.9 0.381 . . . . 1.12 110.448 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -63.01 -31.85 73.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.161 -0.472 . . . . 1.22 110.924 176.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.507 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.7 m -60.47 -40.12 90.08 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.397 -0.365 . . . . 0.21 110.575 174.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -63.32 -34.83 78.54 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.893 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 56.4 mtp -61.83 -49.69 75.28 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.59 -0.277 . . . . 0.44 110.876 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.776 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.5 t -65.67 -47.39 86.27 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.412 -0.358 . . . . 0.16 110.71 -176.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.22 -38.28 85.34 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.246 -0.742 . . . . 0.18 111.246 177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -63.76 -46.07 86.94 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.485 0.183 . . . . 1.21 110.958 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.524 ' HB2' HD12 ' A' ' 75' ' ' ILE . 61.2 p -63.18 -36.74 84.63 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.38 -0.373 . . . . 0.24 111.239 -176.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.731 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 85.8 t -64.35 -48.9 83.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.579 -0.282 . . . . 0.23 110.438 178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.44 -49.75 72.45 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.387 -0.37 . . . . 0.27 111.147 -175.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.33 -44.03 84.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.211 -0.45 . . . . 2.28 111.307 -175.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -65.86 -43.08 89.47 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.375 -0.375 . . . . 0.36 111.36 -174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.832 HD22 ' HB3' ' B' ' 37' ' ' ALA . 9.7 mp -95.67 -7.99 35.98 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.27 0.471 . . . . 0.87 112.27 -173.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.505 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -70.2 -36.33 74.51 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 121.036 -0.266 . . . . 1.16 110.593 177.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.783 0 CA-C-O 117.969 -1.462 . . . . 2.62 110.911 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.7 ttm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.302 -0.629 . . . . 33.16 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.4 123.77 4.89 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.205 -0.452 . . . . 32.82 110.573 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 78.9 p -168.93 -47.66 0.02 OUTLIER 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.232 -0.44 . . . . 32.83 110.571 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.7 mmm -130.57 159.22 37.8 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.214 -0.448 . . . . 34.46 110.574 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -89.11 140.1 29.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.225 -0.443 . . . . 31.75 110.495 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.9 -126.83 21.46 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.96 -0.856 . . . . 30.32 110.96 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.1 65.93 0.03 OUTLIER Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.899 -0.88 . . . . 29.16 110.899 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -141.52 164.93 28.9 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.614 0.245 . . . . 29.37 110.717 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -94.16 148.69 21.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.205 -0.452 . . . . 29.22 110.523 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 65.1 mtt -64.28 -35.47 80.96 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.126 -0.488 . . . . 27.3 110.922 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.72 -161.99 35.54 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.767 -0.933 . . . . 26.28 110.767 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -63.36 -41.13 98.81 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.622 0.249 . . . . 27.96 110.652 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.42 51.18 33.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.064 -0.814 . . . . 25.39 111.064 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.5 p -69.43 147.86 50.38 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.609 0.242 . . . . 25.26 110.625 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.1 mtt -68.31 -36.64 79.61 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.213 -0.449 . . . . 25.89 110.847 -179.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.51 -69.33 1.24 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.115 -0.794 . . . . 24.22 111.115 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . 61.49 94.51 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.779 0.324 . . . . 23.68 110.971 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 59.59 30.62 20.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.18 -0.464 . . . . 22.43 111.362 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -67.44 -36.32 80.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.413 -0.358 . . . . 21.41 110.814 179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.15 173.58 12.08 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.249 -0.432 . . . . 20.15 110.543 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.46 -34.91 79.29 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.208 -0.451 . . . . 19.42 110.848 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 22.9 t -117.16 132.35 67.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 CA-C-N 116.323 -0.399 . . . . 18.26 110.037 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 24.1 t -146.75 34.76 0.93 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.257 -0.429 . . . . 17.23 110.671 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.18 136.18 53.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.282 -0.417 . . . . 16.38 110.08 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.06 -163.79 34.84 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.996 -0.842 . . . . 14.42 110.996 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.14 147.64 22.56 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.891 -0.884 . . . . 12.9 110.891 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -125.88 147.01 49.59 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.663 0.268 . . . . 12.61 110.64 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.98 154.16 19.26 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.768 -0.933 . . . . 8.77 110.768 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -65.5 -65.0 0.05 OUTLIER 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 121.637 1.558 . . . . 7.53 112.045 -178.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -147.88 -67.92 0.24 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.449 -0.341 . . . . 8.51 110.508 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.8 t 56.86 28.14 14.06 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.327 -0.397 . . . . 5.0 111.508 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 85.9 p -151.9 161.48 42.58 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.521 -0.309 . . . . 3.86 110.656 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 5.0 m -149.03 94.02 2.19 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.171 -0.468 . . . . 1.67 110.396 178.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.774 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -177.52 -60.11 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.205 -0.452 . . . . 0.47 111.119 -178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.485 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.16 -23.36 44.52 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 121.621 1.547 . . . . 0.44 112.719 -176.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.643 HG12 HD22 ' A' ' 95' ' ' LEU . 21.3 t -64.12 -47.62 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.258 -0.275 . . . . 0.32 110.258 178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.832 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -65.97 -34.09 77.31 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.272 -0.422 . . . . 0.24 110.761 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 t -60.36 -45.06 94.86 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.507 -0.315 . . . . 1.14 110.785 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.15 91.32 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.147 -0.479 . . . . 0.24 110.544 178.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.17 82.96 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.23 -0.441 . . . . 0.18 110.924 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.49 -40.21 85.23 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.234 -0.439 . . . . 0.17 110.706 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 78.9 p -63.12 -48.68 77.52 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.345 -0.389 . . . . 1.26 110.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -75.34 -22.56 57.51 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.808 -0.357 . . . . 2.91 111.39 178.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' B' ' 100' ' ' LEU . 5.6 tp -63.64 -32.36 73.81 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 110.128 -0.323 . . . . 0.16 110.128 171.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 69.9 m -80.19 -0.97 38.42 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.961 0.356 . . . . 1.35 111.961 178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 70.1 p -67.04 152.37 96.12 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 121.216 -0.193 . . . . 0.25 110.652 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -55.28 -34.2 87.61 Favored 'Trans proline' 0 N--CA 1.499 1.84 0 C-N-CA 121.867 1.711 . . . . 0.58 112.282 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.77 98.63 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.317 -0.401 . . . . 0.41 110.721 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.592 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -65.96 -45.38 81.95 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.19 -0.459 . . . . 0.29 110.784 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 22.2 m -58.52 -41.51 85.6 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.404 -0.362 . . . . 1.2 111.088 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 87.5 p -63.21 -39.27 94.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.118 -0.492 . . . . 1.37 110.699 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.672 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.7 mtm-85 -66.07 -32.4 73.84 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.187 -0.46 . . . . 1.87 110.99 177.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.592 HG23 ' O ' ' B' ' 49' ' ' ALA . 54.6 t -61.79 -47.39 93.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.097 -0.334 . . . . 0.21 110.097 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 81.2 p -60.44 -41.76 94.69 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.302 -0.408 . . . . 1.19 110.635 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.1 m -62.35 -36.91 83.71 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.065 -0.516 . . . . 1.23 110.623 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.08 -33.64 75.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.786 177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.584 ' O ' HG23 ' B' ' 61' ' ' VAL . 43.3 t -63.3 -51.21 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.327 -0.397 . . . . 0.15 110.194 178.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -60.59 -39.6 88.68 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.28 -0.418 . . . . 0.95 111.22 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 47.4 m -65.5 -50.87 63.69 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.332 -0.395 . . . . 1.23 110.983 -177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 40.7 mt -66.94 -40.8 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.454 -0.339 . . . . 0.21 111.001 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.584 HG23 ' O ' ' B' ' 57' ' ' VAL . 91.4 t -65.65 -47.04 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.135 -0.484 . . . . 0.22 110.948 -176.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.6 p -74.17 -43.22 58.15 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.567 -0.288 . . . . 1.31 111.142 -174.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 62.9 m -74.3 -38.71 63.27 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.456 -0.338 . . . . 0.24 110.946 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 140.23 107.81 0.72 Allowed Glycine 0 CA--C 1.533 1.201 0 N-CA-C 110.677 -0.969 . . . . 0.18 110.677 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -42.91 -31.86 2.4 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.311 2.007 . . . . 0.3 114.085 178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.747 HG21 ' HA2' ' A' ' 111' ' ' GLY . 82.1 p -122.39 29.99 6.72 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.583 0.23 . . . . 0.51 111.509 -173.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.6 t30 -97.94 137.81 36.21 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.647 -0.251 . . . . 0.56 110.813 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -62.94 -42.94 99.97 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.75 110.51 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.512 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.26 -37.05 84.56 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.107 -0.497 . . . . 0.19 110.829 -178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.78 -45.16 79.34 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.328 -0.397 . . . . 0.21 110.9 -178.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 48.9 mt -63.08 -39.95 96.23 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.344 -0.389 . . . . 0.25 110.816 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.79 -40.92 98.82 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.412 -0.358 . . . . 0.18 110.84 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -63.84 -44.36 93.4 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.293 -0.412 . . . . 0.98 111.05 -179.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.644 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.2 m -64.83 -44.51 89.57 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.301 -0.409 . . . . 0.29 110.837 -177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.637 ' O ' HG23 ' B' ' 79' ' ' VAL . 52.1 mt -62.58 -47.68 91.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.384 -0.371 . . . . 1.01 110.755 -177.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.8 p -61.27 -49.38 77.32 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.499 -0.318 . . . . 1.25 110.983 -177.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.69 -47.57 80.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.059 -0.519 . . . . 1.39 111.144 -176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.736 ' O ' HG23 ' B' ' 82' ' ' VAL . 61.4 t -63.98 -46.61 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 CA-C-N 116.351 -0.386 . . . . 0.23 110.655 -175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 75' ' ' ILE . 97.1 t -59.12 -42.22 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 116.653 -0.248 . . . . 0.16 110.531 -177.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 7.7 t -60.62 -54.32 46.81 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.033 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -66.61 -36.46 82.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.04 -0.527 . . . . 0.93 111.471 -175.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 78' ' ' VAL . 58.6 t -63.1 -35.09 70.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 C-N-CA 121.115 -0.234 . . . . 0.22 110.385 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 5.5 m -65.18 -38.19 89.71 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.338 -0.392 . . . . 1.19 110.718 175.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.59 98.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.064 -0.517 . . . . 0.29 111.038 -178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.2 m -72.99 -36.08 66.99 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.314 -0.403 . . . . 0.27 110.626 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.582 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.4 m-20 -113.01 71.27 1.31 Allowed Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.153 -0.476 . . . . 0.23 110.871 -174.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.55 -32.98 1.94 Allowed 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.705 1.603 . . . . 0.19 111.972 168.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.79 -30.16 77.22 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.621 -0.592 . . . . 0.18 111.621 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.582 HD12 ' HB3' ' B' ' 86' ' ' ASN . 81.3 mt -79.45 152.03 30.52 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.722 0.296 . . . . 0.21 110.885 -177.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.14 164.28 18.38 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.084 -0.507 . . . . 0.19 110.814 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.77 -40.31 94.84 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.498 -0.641 . . . . 0.14 111.498 -177.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.617 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.5 t -66.0 -36.56 83.62 Favored 'General case' 0 N--CA 1.461 0.115 0 C-N-CA 121.094 -0.242 . . . . 0.11 110.676 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -61.4 -38.12 85.94 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.6 -0.273 . . . . 0.15 110.779 177.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -63.16 -43.42 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.303 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.8 tp -63.42 -40.82 98.22 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.18 110.79 -179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.617 HG23 ' O ' ' B' ' 92' ' ' CYS . 56.3 t -60.22 -44.86 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 116.36 -0.382 . . . . 0.13 110.074 178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.551 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.0 tp60 -64.61 -43.44 93.75 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.967 -0.561 . . . . 1.11 111.225 -174.298 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.822 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.2 -42.81 93.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.281 -0.418 . . . . 0.1 110.948 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.478 ' CD1' HG13 ' A' ' 96' ' ' VAL . 84.6 mt -66.63 -52.14 48.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.528 -0.305 . . . . 0.23 111.497 -172.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.551 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.2 pt? -69.23 -30.03 68.09 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 120.411 -0.515 . . . . 0.48 110.945 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -64.05 -33.34 75.53 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 121.03 -0.268 . . . . 1.1 110.667 174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.822 HG23 ' O ' ' B' ' 98' ' ' ALA . 39.4 t -66.17 -37.17 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.781 -0.452 . . . . 0.13 109.781 174.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 103' ' ' VAL . 26.1 t -60.11 -43.24 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 N-CA-C 109.77 -0.455 . . . . 0.09 109.77 177.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.776 ' HA ' HG21 ' A' ' 130' ' ' VAL . 74.5 p -64.93 -40.78 95.57 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.127 -0.488 . . . . 0.27 111.35 -177.288 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.8 95.97 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.858 0.361 . . . . 0.15 110.443 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.538 HD13 ' HB2' ' A' ' 106' ' ' LEU . 61.8 mt -65.71 -36.12 82.71 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.946 -0.57 . . . . 0.11 111.124 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.415 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -61.27 -41.5 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 110.202 -0.295 . . . . 0.12 110.202 176.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 15.0 m -60.46 -39.99 89.59 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.206 -0.452 . . . . 0.14 110.825 179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 66.7 mt -64.08 -41.39 92.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.135 -0.484 . . . . 0.16 110.327 178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.8 mt -63.56 -43.38 97.2 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.353 -0.385 . . . . 0.16 111.223 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.755 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.98 -39.7 96.64 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.203 -0.759 . . . . 0.23 111.203 -177.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 87.0 p -79.44 -26.46 41.79 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.437 0.162 . . . . 0.28 111.437 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 94.3 p -93.96 166.58 12.09 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.906 0.384 . . . . 0.14 111.072 -175.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 71.1 m -102.28 143.04 32.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.09 110.381 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.7 mp -97.82 128.12 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.525 -0.307 . . . . 0.13 110.329 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -106.43 -126.62 5.67 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.821 -0.911 . . . . 0.3 110.821 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -97.55 124.14 41.69 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 110.316 -0.253 . . . . 2.06 110.316 178.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.6 mm -75.38 128.83 37.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 CA-C-N 116.311 -0.404 . . . . 1.21 110.592 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -90.76 88.85 7.24 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.617 -0.512 . . . . 0.67 109.617 173.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -65.99 -39.58 90.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.636 . . . . 1.26 111.399 -169.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.41 -34.61 89.77 Favored Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.604 -0.598 . . . . 0.21 111.604 -176.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.49 -1.57 38.15 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 112.294 0.479 . . . . 0.18 112.294 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.79 -36.71 72.54 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.697 0.284 . . . . 0.17 110.989 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.78 -35.56 81.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.194 -0.457 . . . . 0.19 110.793 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.46 -42.52 95.9 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.825 0.345 . . . . 1.12 110.532 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -63.7 -31.17 72.26 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.196 -0.457 . . . . 1.22 110.784 176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.498 ' CG2' HG21 ' A' ' 53' ' ' VAL . 5.8 m -60.92 -39.88 91.07 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.481 174.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.73 -34.62 78.29 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.033 -0.531 . . . . 1.64 110.756 176.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 56.0 mtp -61.93 -49.53 75.79 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.566 -0.288 . . . . 0.44 110.882 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.786 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.5 t -65.87 -47.48 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 116.394 -0.366 . . . . 0.16 110.647 -176.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.35 84.96 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.329 -0.708 . . . . 0.18 111.329 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.65 -45.88 88.16 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.62 0.248 . . . . 1.21 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . 0.526 ' HB2' HD12 ' B' ' 75' ' ' ILE . 59.5 p -63.48 -36.63 84.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.321 -0.4 . . . . 0.24 111.093 -176.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.738 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 84.3 t -64.44 -48.89 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.579 -0.282 . . . . 0.24 110.391 178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -63.49 -49.58 73.04 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.375 -0.375 . . . . 0.27 111.105 -175.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -66.65 -43.74 83.78 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.239 -175.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.15 -42.93 88.35 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.413 -0.358 . . . . 0.36 111.287 -174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.853 HD22 ' HB3' ' A' ' 37' ' ' ALA . 9.7 mp -95.61 -8.36 35.14 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.235 0.457 . . . . 0.87 112.235 -173.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -69.98 -36.17 74.99 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 120.98 -0.288 . . . . 1.16 110.618 177.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.045 -1.42 . . . . 2.35 110.948 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.315 -0.624 . . . . 36.65 109.315 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 63.26 -78.28 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.138 -0.483 . . . . 37.14 110.996 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 t -115.43 143.7 44.91 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.645 0.26 . . . . 36.26 110.474 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -82.05 113.71 20.11 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.216 -0.447 . . . . 36.12 110.541 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 m -67.63 -38.21 83.56 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.132 -0.486 . . . . 35.35 110.588 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.92 -176.03 42.88 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.952 -0.859 . . . . 34.84 110.952 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.68 -107.32 3.11 Favored Glycine 0 CA--C 1.526 0.771 0 N-CA-C 110.897 -0.881 . . . . 34.37 110.897 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -94.36 148.74 21.92 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.642 0.258 . . . . 34.86 110.504 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -100.89 143.38 31.1 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.168 -0.469 . . . . 33.57 110.586 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.8 mtt -65.42 -35.93 82.4 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.289 -0.414 . . . . 32.05 110.841 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.65 33.82 37.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.133 -0.787 . . . . 30.8 111.133 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -65.68 -38.36 89.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 30.94 110.581 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.46 -120.14 3.77 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.97 -0.852 . . . . 29.08 110.97 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.5 m -117.37 147.75 42.37 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.696 0.284 . . . . 27.99 110.497 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 88.3 mtp -64.91 -35.46 81.22 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.175 -0.466 . . . . 27.87 110.957 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -151.78 -169.92 17.89 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.012 -0.835 . . . . 26.05 111.012 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.6 153.08 44.5 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.707 0.289 . . . . 24.72 110.685 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.37 -35.14 80.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.214 -0.448 . . . . 23.32 110.879 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.4 m -118.05 144.12 45.86 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.29 -0.414 . . . . 22.02 110.497 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.09 -46.76 66.93 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.213 -0.449 . . . . 21.23 110.621 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.36 152.51 10.58 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 116.192 -0.458 . . . . 19.47 110.621 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.4 t -122.05 134.47 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.169 -0.469 . . . . 17.85 110.034 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.5 m -70.23 100.16 1.64 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.269 -0.423 . . . . 14.96 110.579 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.4 t -129.1 134.53 63.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.176 -0.465 . . . . 14.71 110.12 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.31 -165.57 45.0 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.933 -0.867 . . . . 11.62 110.933 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -142.01 -49.31 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.987 -0.845 . . . . 9.69 110.987 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.65 29.95 5.79 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.678 0.275 . . . . 14.31 111.019 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.48 85.19 0.73 Allowed Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.932 -0.867 . . . . 7.32 110.932 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -68.92 145.33 61.7 Favored 'Trans proline' 0 N--CA 1.498 1.749 0 C-N-CA 121.713 1.608 . . . . 5.74 112.058 -178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.72 46.77 1.02 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.088 0.471 . . . . 8.09 110.499 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t 59.77 176.17 0.08 Allowed 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.022 -0.535 . . . . 3.07 110.953 -178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 m -166.14 83.42 0.3 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.287 -0.415 . . . . 2.27 110.608 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.6 t -146.4 -62.56 0.31 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.049 -0.523 . . . . 0.79 110.438 178.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.769 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -66.99 -59.26 7.88 Favored Pre-proline 0 CA--C 1.535 0.37 0 CA-C-N 116.155 -0.475 . . . . 0.47 110.879 177.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.514 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 18.3 Cg_endo -58.53 -22.96 62.28 Favored 'Trans proline' 0 N--CA 1.499 1.816 0 C-N-CA 121.566 1.511 . . . . 0.44 112.637 -179.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.2 t -63.6 -48.84 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 120.772 0.32 . . . . 0.31 110.222 178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.825 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -66.09 -34.75 78.76 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.224 -0.444 . . . . 0.24 110.783 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -60.72 -42.76 97.9 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.815 0.34 . . . . 1.14 110.817 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.52 -40.53 93.08 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.091 -0.504 . . . . 0.24 110.587 178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.39 -36.96 83.95 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.177 -0.465 . . . . 0.18 111.02 179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.99 -40.29 87.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.212 -0.449 . . . . 0.17 110.878 178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 61.5 p -63.04 -47.6 82.35 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.443 -0.344 . . . . 1.26 110.935 -177.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.6 ptt180 -75.14 -23.05 57.76 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.384 178.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.1 tp -63.06 -32.2 73.52 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.59 -0.277 . . . . 0.16 110.29 170.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -78.82 -2.99 42.28 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 112.0 0.37 . . . . 1.35 112.0 177.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 60.7 p -66.45 152.26 94.95 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.852 178.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -58.35 -31.63 94.32 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 121.737 1.625 . . . . 0.57 112.113 -178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.62 -40.76 97.72 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.35 -0.386 . . . . 0.41 110.623 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.648 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.42 -44.16 83.72 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.096 -0.502 . . . . 0.29 110.754 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.8 p -59.01 -40.76 85.92 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.401 -0.363 . . . . 1.2 111.119 -177.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.5 t -63.19 -43.14 99.05 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.121 -0.491 . . . . 1.37 110.795 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.662 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.6 mtm-85 -64.96 -33.61 76.44 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.201 -0.454 . . . . 1.87 111.108 179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 49' ' ' ALA . 72.0 t -62.02 -46.73 95.83 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.275 0 CA-C-N 116.604 -0.271 . . . . 0.21 110.298 178.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.15 -43.58 95.65 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.383 -0.372 . . . . 1.19 110.645 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.9 m -62.08 -36.5 81.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.952 -0.567 . . . . 1.23 110.606 178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.65 -33.58 75.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.18 110.828 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 61' ' ' VAL . 33.5 t -63.1 -52.58 57.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.376 -0.375 . . . . 0.15 110.164 178.067 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -58.84 -39.01 79.99 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.258 -0.428 . . . . 0.95 111.255 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.5 t -65.37 -51.82 57.83 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.248 -0.433 . . . . 1.23 110.995 -177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.5 mt -66.09 -39.55 90.09 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.352 -0.385 . . . . 0.21 111.144 -177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 57' ' ' VAL . 98.9 t -65.71 -48.29 82.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 CA-C-N 116.309 -0.405 . . . . 0.22 111.015 -175.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.8 p -73.45 -43.04 61.16 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.476 -0.329 . . . . 1.31 111.12 -174.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 56.8 m -75.33 -38.14 60.35 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.526 -0.306 . . . . 0.24 110.911 -177.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.46 110.05 0.76 Allowed Glycine 0 CA--C 1.533 1.181 0 N-CA-C 110.665 -0.974 . . . . 0.18 110.665 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -40.79 -32.07 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.908 0 C-N-CA 122.6 2.2 . . . . 0.3 114.283 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.728 HG21 ' CA ' ' B' ' 111' ' ' GLY . 2.3 p -132.72 35.67 3.57 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 120.725 0.298 . . . . 0.51 111.405 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.55 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.6 t-20 -93.18 135.27 34.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.427 -0.351 . . . . 0.56 110.384 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -61.82 -40.03 93.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.675 0.274 . . . . 0.75 110.565 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.55 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.24 -39.43 89.53 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.277 -0.419 . . . . 0.19 110.512 179.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.04 93.12 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-N 116.035 -0.53 . . . . 0.21 110.704 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -62.97 -42.97 99.99 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.365 -0.379 . . . . 0.25 110.741 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.9 p -60.83 -40.68 93.73 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.441 -0.345 . . . . 0.18 110.86 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.42 -43.88 96.21 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.186 -0.461 . . . . 0.98 111.241 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.636 ' O ' HG23 ' A' ' 78' ' ' VAL . 20.5 m -65.72 -48.55 71.58 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.284 -0.416 . . . . 0.29 110.927 -176.048 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.4 mm -62.41 -44.92 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.681 -0.236 . . . . 1.01 110.694 -177.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.9 t -60.95 -52.01 66.84 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.899 0.381 . . . . 1.25 110.971 -177.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.2 m -63.54 -47.51 81.3 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.938 -0.574 . . . . 1.39 111.149 -176.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 82' ' ' VAL . 58.1 t -63.32 -48.39 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.331 -0.395 . . . . 0.23 110.601 -175.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 75' ' ' ILE . 92.1 t -59.19 -41.78 84.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 CA-C-O 120.672 0.272 . . . . 0.16 110.587 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -60.21 -54.05 50.46 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.278 -0.419 . . . . 1.08 111.152 -178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -68.66 -34.3 75.47 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.088 -0.505 . . . . 0.93 111.242 -174.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 78' ' ' VAL . 58.1 t -63.14 -35.45 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 110.389 -0.226 . . . . 0.22 110.389 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -64.59 -38.73 92.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.4 -0.364 . . . . 1.19 110.775 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.99 97.37 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.095 -0.502 . . . . 0.29 111.283 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.84 -37.26 64.88 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.286 -0.415 . . . . 0.27 110.5 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.597 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.0 m-20 -112.78 70.74 1.19 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.088 -0.506 . . . . 0.23 111.0 -174.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.6 -33.52 2.32 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 121.736 1.624 . . . . 0.19 112.047 169.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.73 -29.81 76.26 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.552 -0.619 . . . . 0.18 111.552 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 86' ' ' ASN . 33.5 mt -79.67 154.58 28.53 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.697 0.284 . . . . 0.21 110.798 -177.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -68.65 164.16 22.17 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.086 -0.506 . . . . 0.19 110.701 -178.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.66 -39.06 94.68 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 111.425 -0.67 . . . . 0.14 111.425 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.593 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 t -66.44 -35.96 81.61 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.037 -0.265 . . . . 0.11 110.735 -179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' HD22 ' A' ' 89' ' ' LEU . 24.6 m-20 -60.67 -39.72 89.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.703 0.287 . . . . 0.15 110.867 177.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.4 t -62.56 -43.38 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.293 -0.412 . . . . 0.15 110.486 178.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.8 tp -63.26 -41.79 99.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.221 -0.445 . . . . 0.18 110.86 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.8 t -60.37 -45.55 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 116.417 -0.356 . . . . 0.13 110.207 179.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.546 ' O ' HD23 ' A' ' 100' ' ' LEU . 40.0 tp60 -64.16 -43.12 96.15 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.92 -0.582 . . . . 1.11 111.287 -174.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.732 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.49 -43.06 91.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.3 -0.409 . . . . 0.1 110.976 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' B' ' 96' ' ' VAL . 87.1 mt -66.72 -50.62 62.22 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 120.972 -0.291 . . . . 0.23 111.647 -172.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.74 -29.38 65.61 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.224 -0.59 . . . . 0.48 110.543 -176.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -64.0 -33.11 74.98 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 121.059 -0.256 . . . . 1.1 110.766 174.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 98' ' ' ALA . 41.5 t -67.25 -36.21 76.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 109.906 -0.405 . . . . 0.13 109.906 173.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.562 ' O ' HG23 ' A' ' 107' ' ' VAL . 27.3 t -60.74 -43.17 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 116.339 -0.391 . . . . 0.09 110.141 177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.673 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.6 p -65.87 -40.7 91.9 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.213 -0.449 . . . . 0.27 111.315 -178.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.72 -42.21 96.82 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.951 0.405 . . . . 0.15 110.526 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.474 HD13 ' HB2' ' B' ' 106' ' ' LEU . 34.1 mt -65.66 -35.29 80.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.983 -0.553 . . . . 0.11 111.172 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.8 t -60.31 -42.28 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-O 120.724 0.297 . . . . 0.12 110.212 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.6 m -60.82 -43.49 98.16 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.19 -0.459 . . . . 0.14 110.971 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.9 mt -64.52 -43.07 96.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.071 -0.513 . . . . 0.16 110.535 -179.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.434 ' CD1' HD22 ' B' ' 106' ' ' LEU . 60.9 mt -62.53 -46.86 86.48 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.509 -0.314 . . . . 0.16 111.312 -176.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.721 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -67.56 -39.33 90.87 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.342 -0.703 . . . . 0.23 111.342 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 86.7 p -75.38 -24.13 57.19 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 120.496 0.189 . . . . 0.28 111.454 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -94.44 166.23 12.16 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.834 0.349 . . . . 0.14 110.67 -177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.1 m -95.58 135.26 37.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.865 -0.607 . . . . 0.09 110.466 -177.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -96.7 117.78 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.13 110.417 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.0 -111.03 2.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.671 -0.972 . . . . 0.3 110.671 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.58 138.45 46.96 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 110.196 -0.298 . . . . 2.06 110.196 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.542 HD12 ' N ' ' A' ' 118' ' ' ILE . 4.8 mp -97.99 122.63 49.83 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.422 -0.354 . . . . 1.21 110.364 -178.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -75.44 93.41 2.95 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.13 -0.487 . . . . 0.67 109.855 175.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.1 -40.06 90.46 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.911 -0.586 . . . . 1.26 111.219 -170.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.04 -34.05 88.79 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.654 -0.578 . . . . 0.21 111.654 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.82 -0.51 34.9 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.36 0.504 . . . . 0.18 112.36 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.7 p -57.6 -36.62 71.99 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.786 0.326 . . . . 0.17 110.877 -178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.23 80.13 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.145 -0.48 . . . . 0.19 111.008 178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -64.53 -44.46 90.78 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.93 0.395 . . . . 1.12 110.434 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -63.52 -31.82 73.09 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.2 -0.455 . . . . 1.22 110.856 177.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.534 ' CG2' HG21 ' B' ' 53' ' ' VAL . 5.5 m -59.3 -40.64 86.81 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.793 0.33 . . . . 0.21 110.388 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -63.89 -35.29 80.17 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.935 -0.575 . . . . 1.64 110.955 176.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 83.3 mtp -60.14 -49.67 76.71 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.756 0.312 . . . . 0.44 110.775 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.66 HG21 ' HA ' ' B' ' 104' ' ' SER . 62.1 t -65.13 -46.35 91.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.285 -0.416 . . . . 0.16 110.663 -177.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.409 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.07 -40.42 91.35 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 111.373 -0.691 . . . . 0.18 111.373 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -64.52 -41.68 96.24 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.536 0.207 . . . . 1.21 111.082 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.2 p -61.75 -39.29 91.08 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.54 -0.3 . . . . 0.24 110.973 -178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.753 HG13 ' HB1' ' B' ' 37' ' ' ALA . 85.4 t -64.46 -49.38 80.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.28 -0.418 . . . . 0.23 110.537 178.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.562 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.02 -47.76 81.69 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.362 -0.381 . . . . 0.27 111.222 -174.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -66.25 -45.2 81.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.274 -0.421 . . . . 2.28 111.342 -175.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.18 -43.05 87.98 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.42 -0.354 . . . . 0.36 111.33 -174.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.845 HD22 ' HB3' ' B' ' 37' ' ' ALA . 10.1 mp -96.02 -2.42 46.87 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.336 0.495 . . . . 0.87 112.336 -174.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.562 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -70.26 -36.45 74.46 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.625 0.25 . . . . 1.16 110.577 177.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 2.62 110.968 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.388 -0.597 . . . . 33.16 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.2 81.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.163 -0.471 . . . . 32.82 110.756 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 87.4 p -145.25 160.95 40.69 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.282 -0.417 . . . . 32.83 110.547 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 8.6 tpt -65.71 -35.5 80.92 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.17 -0.468 . . . . 34.46 110.846 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 10.1 m -73.3 140.4 46.76 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.278 -0.419 . . . . 31.75 110.476 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -80.28 -178.25 51.69 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.955 -0.858 . . . . 30.32 110.955 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.65 135.71 0.4 Allowed Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.85 -0.9 . . . . 29.16 110.85 -179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -93.08 117.54 30.19 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.644 0.259 . . . . 29.37 110.551 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -149.27 163.17 38.45 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.211 -0.449 . . . . 29.22 110.677 179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 64.4 mtt -128.28 151.64 49.06 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 116.222 -0.445 . . . . 27.3 110.44 179.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.33 106.83 3.45 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.987 -0.845 . . . . 26.28 110.987 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 83.5 mtm180 -65.6 -35.09 79.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.604 0.24 . . . . 27.96 110.765 179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 92.44 179.2 41.02 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.957 -0.857 . . . . 25.39 110.957 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 50.7 m -122.7 152.0 40.99 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-O 120.692 0.282 . . . . 25.26 110.54 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 73.6 mtm -63.77 -35.49 80.78 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.24 -0.437 . . . . 25.89 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -134.44 114.67 1.33 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.937 -0.865 . . . . 24.22 110.937 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.31 78.67 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.604 0.24 . . . . 23.68 110.831 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 148.05 51.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.259 -0.428 . . . . 22.43 110.752 -179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.5 p -69.55 165.71 20.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.246 -0.434 . . . . 21.41 110.607 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -129.26 158.47 38.96 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.224 -0.444 . . . . 20.15 110.508 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 147.5 52.49 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.129 -0.487 . . . . 19.42 110.687 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 30.3 m -68.42 143.14 15.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.205 -0.452 . . . . 18.26 110.647 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -110.32 148.52 31.78 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.095 -0.502 . . . . 17.23 110.516 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -125.32 155.01 34.15 Favored 'Isoleucine or valine' 0 C--O 1.232 0.172 0 CA-C-N 116.294 -0.412 . . . . 16.38 110.657 -179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.88 -102.97 0.26 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.872 -0.891 . . . . 14.42 110.872 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.67 36.08 2.12 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 110.918 -0.873 . . . . 12.9 110.918 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -131.97 138.22 48.21 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.658 0.265 . . . . 12.61 110.504 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.02 159.46 27.42 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 110.898 -0.881 . . . . 8.77 110.898 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -68.75 -51.09 0.52 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.677 1.584 . . . . 7.53 112.044 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -150.2 -68.23 0.2 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.255 -0.43 . . . . 8.51 110.469 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.8 m -139.9 152.65 46.58 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.314 -0.403 . . . . 5.0 110.56 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 5.7 m -128.15 -67.84 0.79 Allowed 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.312 -0.404 . . . . 3.86 110.526 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.7 m 57.54 94.65 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.161 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -175.38 -59.92 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.263 -0.426 . . . . 0.47 110.825 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.526 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 16.4 Cg_endo -58.24 -23.24 61.21 Favored 'Trans proline' 0 N--CA 1.499 1.837 0 C-N-CA 121.614 1.543 . . . . 0.44 112.585 -179.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.36 -48.84 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 N-CA-C 110.212 -0.292 . . . . 0.32 110.212 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.845 ' HB3' HD22 ' A' ' 138' ' ' LEU . . . -66.17 -34.65 78.51 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.221 -0.445 . . . . 0.24 110.754 178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.6 m -60.82 -42.66 98.14 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.474 -0.33 . . . . 1.14 110.746 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.69 -40.26 92.14 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.126 -0.488 . . . . 0.24 110.496 178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.8 -36.67 83.92 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.909 179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.12 86.37 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.179 -0.464 . . . . 0.17 110.794 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 62.9 p -63.17 -47.46 82.53 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.395 -0.366 . . . . 1.26 110.882 -177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -75.56 -22.51 56.95 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.799 -0.36 . . . . 2.91 111.289 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.46 HD22 ' CD1' ' B' ' 100' ' ' LEU . 7.7 tp -63.32 -32.31 73.7 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 110.16 -0.311 . . . . 0.16 110.16 170.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 68.6 m -78.8 -2.95 42.07 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 111.912 0.338 . . . . 1.35 111.912 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 60.6 p -66.57 152.51 94.87 Favored Pre-proline 0 CA--C 1.532 0.283 0 C-N-CA 121.204 -0.198 . . . . 0.25 110.757 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.4 -31.86 94.94 Favored 'Trans proline' 0 N--CA 1.499 1.796 0 C-N-CA 121.863 1.708 . . . . 0.58 112.105 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.51 -40.82 98.05 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.41 110.57 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.45 -43.95 84.12 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.129 -0.487 . . . . 0.29 110.734 -179.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.21 -40.68 86.57 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.413 -0.358 . . . . 1.2 111.082 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -63.26 -43.13 98.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.145 -0.48 . . . . 1.37 110.68 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' B' ' 82' ' ' VAL . 73.3 mtm-85 -65.07 -33.56 76.32 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.244 -0.434 . . . . 1.87 111.044 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 72.6 t -62.01 -46.64 96.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.576 -0.284 . . . . 0.21 110.307 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 80.8 p -60.33 -43.62 96.26 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.397 -0.365 . . . . 1.19 110.576 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 24.0 m -62.02 -36.36 81.32 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.63 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.72 -33.63 75.52 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.197 -0.456 . . . . 0.18 110.738 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.635 ' O ' HG23 ' B' ' 61' ' ' VAL . 32.3 t -63.09 -52.5 58.21 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.372 -0.376 . . . . 0.15 110.169 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 3.0 p -59.03 -38.93 80.44 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 116.323 -0.399 . . . . 0.95 111.151 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -65.33 -51.79 58.22 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.419 -0.355 . . . . 1.23 110.966 -177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -66.12 -39.68 90.1 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.359 -0.382 . . . . 0.21 111.062 -177.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 57' ' ' VAL . 99.2 t -65.56 -48.43 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.313 -0.403 . . . . 0.22 110.964 -175.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.27 -43.14 61.59 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.526 -0.306 . . . . 1.31 111.135 -174.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 56.7 m -75.3 -38.16 60.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.504 -0.316 . . . . 0.24 110.882 -177.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.34 109.94 0.76 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.755 -0.938 . . . . 0.18 110.755 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -40.69 -32.01 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.535 2.157 . . . . 0.3 114.36 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.721 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.3 p -132.94 35.93 3.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.838 0.352 . . . . 0.51 111.333 -176.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.54 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.9 t-20 -93.48 135.19 34.97 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.316 -0.402 . . . . 0.56 110.373 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -61.7 -40.15 93.99 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.563 -0.29 . . . . 0.75 110.594 179.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.54 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.1 -39.46 89.98 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.248 -0.433 . . . . 0.19 110.553 179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.96 93.15 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 116.083 -0.508 . . . . 0.21 110.718 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -63.02 -42.81 99.9 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.329 -0.396 . . . . 0.25 110.718 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.0 p -61.15 -40.32 93.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.451 -0.34 . . . . 0.18 110.8 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.75 -44.01 94.74 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.199 -0.455 . . . . 0.98 111.014 -179.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.642 ' O ' HG23 ' B' ' 78' ' ' VAL . 20.1 m -65.63 -48.55 71.82 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.955 -176.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.39 -44.94 99.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.641 -0.254 . . . . 1.01 110.738 -177.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.7 t -60.78 -52.16 66.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.805 0.336 . . . . 1.25 110.976 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.0 m -63.53 -47.66 80.75 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.013 -0.54 . . . . 1.39 111.144 -176.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.738 ' O ' HG23 ' B' ' 82' ' ' VAL . 56.9 t -63.08 -48.63 86.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.266 -0.425 . . . . 0.23 110.619 -175.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' B' ' 75' ' ' ILE . 95.5 t -59.04 -41.62 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.594 -0.276 . . . . 0.16 110.659 -177.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.6 t -60.3 -54.15 49.11 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.315 -0.402 . . . . 1.08 111.132 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -68.61 -34.11 75.21 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.149 -0.478 . . . . 0.93 111.355 -174.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.738 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.8 t -63.3 -35.03 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 110.369 -0.234 . . . . 0.22 110.369 177.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 4.3 m -65.18 -38.35 90.26 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.297 -0.41 . . . . 1.19 110.574 174.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.27 -41.32 98.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.133 -0.485 . . . . 0.29 111.039 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.46 -36.73 65.91 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.301 -0.409 . . . . 0.27 110.664 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.629 ' HB3' HD12 ' B' ' 89' ' ' LEU . 76.0 m-20 -113.46 70.57 1.53 Allowed Pre-proline 0 CA--C 1.536 0.409 0 CA-C-N 116.163 -0.472 . . . . 0.23 110.854 -173.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -77.76 -33.43 2.26 Favored 'Trans proline' 0 N--CA 1.495 1.57 0 C-N-CA 121.669 1.58 . . . . 0.19 111.995 169.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.76 -30.01 76.81 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 111.59 -0.604 . . . . 0.18 111.59 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' B' ' 86' ' ' ASN . 33.6 mt -79.47 154.39 28.93 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.69 0.281 . . . . 0.21 110.876 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.5 m -68.5 164.1 21.96 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.002 -0.545 . . . . 0.19 110.691 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.65 -39.05 94.66 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.416 -0.674 . . . . 0.14 111.416 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.6 ' O ' HG23 ' B' ' 96' ' ' VAL . 9.4 t -66.4 -35.92 81.54 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 121.032 -0.267 . . . . 0.11 110.735 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.504 ' OD2' HD22 ' B' ' 89' ' ' LEU . 22.2 m-20 -60.79 -39.46 88.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.564 -0.289 . . . . 0.15 110.788 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.89 -43.2 98.76 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-N 116.267 -0.424 . . . . 0.15 110.323 179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.9 tp -63.48 -41.63 98.58 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.215 -0.448 . . . . 0.18 110.793 -179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 92' ' ' CYS . 60.3 t -60.44 -45.53 96.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 120.86 0.362 . . . . 0.13 110.107 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.544 ' O ' HD23 ' B' ' 100' ' ' LEU . 40.2 tp60 -64.29 -42.9 96.17 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.934 -0.576 . . . . 1.11 111.209 -174.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.731 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.75 -43.06 90.1 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.333 -0.394 . . . . 0.1 110.906 -179.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 96' ' ' VAL . 87.2 mt -66.2 -52.08 51.51 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.339 . . . . 0.23 111.458 -172.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.49 -29.4 67.04 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 120.426 -0.51 . . . . 0.48 110.99 -176.452 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -64.26 -32.84 74.59 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 121.016 -0.274 . . . . 1.1 110.664 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.731 HG23 ' O ' ' B' ' 98' ' ' ALA . 42.5 t -67.61 -35.91 74.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.776 -0.453 . . . . 0.13 109.776 173.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.56 ' O ' HG23 ' B' ' 107' ' ' VAL . 30.0 t -61.19 -43.03 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 109.925 -0.398 . . . . 0.09 109.925 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.66 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -66.01 -40.57 91.2 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.199 -0.455 . . . . 0.27 111.258 -178.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.85 96.89 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.847 0.356 . . . . 0.15 110.447 178.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.482 HD11 HG13 ' A' ' 103' ' ' VAL . 34.4 mt -66.22 -35.03 79.38 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.926 -0.579 . . . . 0.11 110.977 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.1 t -60.51 -41.97 89.65 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 N-CA-C 110.194 -0.298 . . . . 0.12 110.194 176.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -61.23 -43.2 99.26 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.219 -0.446 . . . . 0.14 110.838 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.76 -42.9 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 116.161 -0.472 . . . . 0.16 110.479 -178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 106' ' ' LEU . 60.6 mt -62.58 -46.9 86.2 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.36 -0.382 . . . . 0.16 111.313 -176.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.728 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -67.26 -39.81 92.14 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.295 -0.722 . . . . 0.23 111.295 -176.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 86.8 p -75.14 -24.58 58.01 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 120.401 0.143 . . . . 0.28 111.323 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.1 p -93.62 166.71 12.1 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.791 0.329 . . . . 0.14 110.809 -177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 39.4 m -95.98 135.31 37.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.415 -177.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -96.87 117.84 42.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.373 -0.376 . . . . 0.13 110.388 -178.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -97.99 -111.05 2.96 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.617 -0.993 . . . . 0.3 110.617 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -110.59 138.38 47.04 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.169 -0.308 . . . . 2.06 110.169 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.526 ' N ' HD12 ' B' ' 118' ' ' ILE . 4.7 mp -97.91 122.6 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 CA-C-N 116.41 -0.359 . . . . 1.21 110.322 -178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -75.43 93.47 2.95 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.14 -0.482 . . . . 0.67 109.843 175.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.96 -40.22 91.12 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 115.869 -0.605 . . . . 1.26 111.301 -170.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.05 -33.93 88.47 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.614 -0.594 . . . . 0.21 111.614 -176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.05 -0.45 35.65 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.281 0.475 . . . . 0.18 112.281 -176.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 87.4 p -57.56 -36.42 71.65 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-O 120.667 0.27 . . . . 0.17 110.987 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.41 80.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.846 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -64.42 -44.09 92.33 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.417 -0.356 . . . . 1.12 110.544 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -64.13 -31.23 72.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.172 -0.467 . . . . 1.22 110.872 177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.528 ' OG1' HG11 ' A' ' 53' ' ' VAL . 5.5 m -59.7 -40.29 87.39 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.848 0.356 . . . . 0.21 110.376 173.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.34 -35.16 79.98 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 115.965 -0.561 . . . . 1.64 110.864 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 83.1 mtp -60.07 -49.53 77.27 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.7 0.286 . . . . 0.44 110.86 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.673 HG21 ' HA ' ' A' ' 104' ' ' SER . 61.6 t -65.3 -46.46 90.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-N 116.257 -0.429 . . . . 0.16 110.648 -177.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.84 -40.43 89.84 Favored Glycine 0 CA--C 1.531 1.087 0 N-CA-C 111.379 -0.688 . . . . 0.18 111.379 178.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -64.67 -41.38 96.11 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.493 0.187 . . . . 1.21 111.027 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 59.9 p -62.0 -39.27 91.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.53 -0.305 . . . . 0.24 110.888 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.745 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 85.2 t -64.43 -49.44 80.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.538 178.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.569 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -63.08 -47.65 81.98 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.317 -0.401 . . . . 0.27 111.147 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -66.48 -44.86 81.52 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.323 -0.398 . . . . 2.28 111.35 -175.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.08 86.91 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.38 -0.373 . . . . 0.36 111.19 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.825 HD22 ' HB3' ' A' ' 37' ' ' ALA . 10.1 mp -96.01 -2.47 46.81 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.262 0.467 . . . . 0.87 112.262 -174.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -70.31 -36.19 74.15 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 121.034 -0.266 . . . . 1.16 110.587 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.76 0 CA-C-O 117.992 -1.449 . . . . 2.35 111.027 179.868 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.2 mtm . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.425 -0.583 . . . . 36.65 109.425 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.49 144.03 29.05 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.254 -0.43 . . . . 37.14 110.532 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 t -118.58 142.16 47.89 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.184 -0.462 . . . . 36.26 110.494 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mtp -104.63 147.02 28.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.455 . . . . 36.12 110.472 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -121.26 137.84 54.5 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 116.162 -0.472 . . . . 35.35 110.391 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.11 -49.62 0.03 OUTLIER Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.923 -0.871 . . . . 34.84 110.923 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 -136.37 2.02 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.973 -0.851 . . . . 34.37 110.973 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.6 -36.12 83.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.721 0.296 . . . . 34.86 110.876 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 60.41 41.6 15.82 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.22 -0.445 . . . . 33.57 110.855 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 65.3 mtt -64.82 -35.87 82.49 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.133 -0.485 . . . . 32.05 110.86 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.45 145.59 5.33 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.973 -0.851 . . . . 30.8 110.973 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -65.5 -34.81 79.15 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.606 0.241 . . . . 30.94 110.96 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 82.81 36.48 15.73 Favored Glycine 0 CA--C 1.527 0.803 0 N-CA-C 110.949 -0.861 . . . . 29.08 110.949 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.1 m -64.12 -34.26 77.66 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.585 0.231 . . . . 27.99 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 87.8 mtp -77.28 144.73 37.93 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.263 -0.426 . . . . 27.87 110.565 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.58 51.56 0.04 OUTLIER Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.884 -0.886 . . . . 26.05 110.884 -179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.77 78.75 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.621 0.248 . . . . 24.72 110.919 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -34.71 78.89 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.353 -0.385 . . . . 23.32 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t -83.04 152.79 25.23 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-N 116.283 -0.417 . . . . 22.02 110.556 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.88 172.77 0.08 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.199 -0.455 . . . . 21.23 111.093 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.15 154.02 19.1 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.177 -0.465 . . . . 19.47 110.548 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.3 t 60.94 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.203 -0.453 . . . . 17.85 110.644 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 55.4 m -125.68 154.76 41.91 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.125 -0.489 . . . . 14.96 110.575 -179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.3 t -97.72 137.67 24.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.186 -0.461 . . . . 14.71 110.048 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.54 133.44 32.72 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.076 -0.81 . . . . 11.62 111.076 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -97.31 -67.54 0.93 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.951 -0.86 . . . . 9.69 110.951 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -100.85 29.9 4.32 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.617 0.246 . . . . 14.31 111.004 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 68.18 73.55 0.68 Allowed Glycine 0 CA--C 1.531 1.052 0 N-CA-C 110.983 -0.847 . . . . 7.32 110.983 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -70.4 -169.97 0.4 Allowed 'Trans proline' 0 N--CA 1.496 1.628 0 C-N-CA 121.789 1.66 . . . . 5.74 112.004 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 60.61 81.49 0.18 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.25 -0.432 . . . . 8.09 110.902 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.5 t -68.46 154.2 42.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.919 -0.582 . . . . 3.07 110.664 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.8 t -105.14 51.84 0.75 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.128 0.49 . . . . 2.27 110.499 -178.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.4 t -120.34 -53.35 2.13 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.02 -0.536 . . . . 0.79 110.58 179.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.674 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -66.81 -58.61 9.3 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.209 -0.45 . . . . 0.47 111.252 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.454 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 13.4 Cg_endo -55.44 -21.39 29.9 Favored 'Trans proline' 0 N--CA 1.501 1.958 0 C-N-CA 121.504 1.469 . . . . 0.44 112.696 -178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.591 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.16 -47.29 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 N-CA-C 110.182 -0.303 . . . . 0.31 110.182 176.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.748 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.78 -40.63 92.17 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.246 -0.434 . . . . 0.24 110.755 178.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.4 m -59.91 -42.19 93.35 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.302 -0.408 . . . . 1.14 110.943 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.17 93.25 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.283 -0.417 . . . . 0.24 110.673 179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.5 -37.91 87.86 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.252 -0.431 . . . . 0.18 110.965 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.478 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -66.68 -38.7 87.33 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.189 -0.459 . . . . 0.17 110.81 177.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m -62.14 -48.33 80.6 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.015 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -75.27 -22.86 57.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.848 -0.341 . . . . 2.91 111.591 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 100' ' ' LEU . 5.7 tp -61.86 -32.36 72.7 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 -0.222 . . . . 0.16 110.525 171.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.6 p -79.1 -2.81 42.36 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 111.986 0.365 . . . . 1.35 111.986 179.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.7 p -66.27 152.1 94.78 Favored Pre-proline 0 CA--C 1.532 0.277 0 C-N-CA 121.213 -0.195 . . . . 0.25 110.82 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.33 -36.07 92.91 Favored 'Trans proline' 0 N--CA 1.5 1.891 0 C-N-CA 121.851 1.701 . . . . 0.57 112.448 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.86 95.31 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.249 -0.432 . . . . 0.41 110.724 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.22 -44.02 85.01 Favored 'General case' 0 N--CA 1.461 0.122 0 CA-C-N 116.212 -0.449 . . . . 0.29 110.724 -179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.3 m -59.21 -41.47 88.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.848 0.356 . . . . 1.2 111.024 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.0 m -62.66 -41.74 99.24 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.06 -0.518 . . . . 1.37 110.819 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.676 ' NE ' HG22 ' A' ' 82' ' ' VAL . 71.0 mtm-85 -64.12 -34.82 78.93 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.32 -0.4 . . . . 1.87 110.986 178.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.765 HG11 ' OG1' ' B' ' 127' ' ' THR . 60.9 t -61.35 -45.11 99.28 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 110.065 -0.346 . . . . 0.21 110.065 177.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.7 m -58.83 -44.8 90.97 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.272 -0.422 . . . . 1.19 110.691 178.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.9 m -61.71 -36.55 81.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.884 -0.598 . . . . 1.23 110.551 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.59 -33.86 75.82 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.218 -0.446 . . . . 0.18 110.818 176.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 61' ' ' VAL . 29.6 t -63.32 -53.17 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.437 -0.347 . . . . 0.15 110.212 178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.36 -39.01 81.9 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.198 -0.456 . . . . 0.95 111.142 -177.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.4 t -65.24 -50.76 64.59 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.296 -0.411 . . . . 1.23 111.012 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 39.2 mt -66.19 -39.74 89.92 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.414 -0.357 . . . . 0.21 111.046 -177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 57' ' ' VAL . 90.5 t -65.41 -49.22 79.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.346 -0.388 . . . . 0.22 111.004 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 85.9 p -73.34 -43.02 61.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.615 -0.266 . . . . 1.31 111.162 -174.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.8 m -74.7 -37.81 62.51 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.46 -0.336 . . . . 0.24 110.898 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.4 108.62 0.8 Allowed Glycine 0 CA--C 1.533 1.184 0 N-CA-C 110.528 -1.029 . . . . 0.18 110.528 -177.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_exo -42.93 -31.98 2.46 Favored 'Trans proline' 0 N--CA 1.501 1.945 0 C-N-CA 122.382 2.055 . . . . 0.3 114.018 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.797 HG21 ' HA2' ' B' ' 111' ' ' GLY . 82.0 p -124.76 31.37 5.69 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.638 0.256 . . . . 0.51 111.5 -174.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.539 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 59.5 t30 -94.83 139.53 31.17 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.542 -0.299 . . . . 0.56 110.879 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -63.0 -44.43 96.03 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.476 -0.329 . . . . 0.75 110.486 177.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.539 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.16 -37.66 86.2 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.141 -0.481 . . . . 0.19 110.673 -178.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.35 80.86 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.311 -0.404 . . . . 0.21 110.853 -178.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.87 -40.51 97.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.444 -0.344 . . . . 0.25 110.816 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.43 -42.2 99.28 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.475 -0.329 . . . . 0.18 110.956 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -63.82 -45.29 90.24 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.277 -0.42 . . . . 0.98 111.253 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 78' ' ' VAL . 19.8 m -65.2 -46.94 78.69 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.241 -0.436 . . . . 0.29 110.871 -176.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 79' ' ' VAL . 72.9 mt -63.01 -45.85 97.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.56 -0.291 . . . . 1.01 110.676 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.88 -50.2 74.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.933 0.397 . . . . 1.25 111.008 -177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 20.3 m -62.53 -45.22 93.96 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.853 -0.612 . . . . 1.39 111.172 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.3 t -63.9 -46.44 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.368 -0.378 . . . . 0.23 110.575 -176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.4 t -58.29 -43.07 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 120.723 0.297 . . . . 0.16 110.493 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.0 m -60.47 -54.01 50.71 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 1.08 111.053 -179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.68 -35.82 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.895 -0.593 . . . . 0.93 111.429 -174.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 60.3 t -62.95 -37.42 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 N-CA-C 110.402 -0.221 . . . . 0.22 110.402 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 t -64.92 -38.08 89.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.341 -0.39 . . . . 1.19 110.908 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.0 -41.35 97.96 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.118 -0.492 . . . . 0.29 111.185 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.71 -37.39 67.81 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.276 -0.42 . . . . 0.27 110.362 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.636 ' HB3' HD12 ' A' ' 89' ' ' LEU . 75.0 m-20 -113.11 70.34 1.3 Allowed Pre-proline 0 CA--C 1.536 0.429 0 CA-C-N 116.167 -0.469 . . . . 0.23 110.816 -174.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -73.05 -29.14 12.17 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 121.638 1.559 . . . . 0.19 112.041 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.87 -30.7 78.67 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 111.62 -0.592 . . . . 0.18 111.62 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 86' ' ' ASN . 96.6 mt -77.08 153.42 34.37 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.732 0.301 . . . . 0.21 110.783 -176.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.4 m -69.05 165.35 20.41 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.048 -0.524 . . . . 0.19 110.376 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.01 -36.93 90.64 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.438 -0.665 . . . . 0.14 111.438 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.605 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.2 t -66.85 -38.67 86.82 Favored 'General case' 0 CA--C 1.527 0.09 0 C-N-CA 121.088 -0.245 . . . . 0.11 110.732 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -60.82 -36.77 79.92 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.72 -0.218 . . . . 0.15 111.007 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 29.6 t -62.85 -45.22 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 116.46 -0.336 . . . . 0.15 110.185 177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.64 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 20.4 tp -62.09 -42.16 98.92 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.11 -0.495 . . . . 0.18 110.792 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.622 ' O ' HD23 ' A' ' 100' ' ' LEU . 61.6 t -58.69 -51.14 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.982 -0.377 . . . . 0.13 109.982 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.542 ' HB3' HG11 ' A' ' 82' ' ' VAL . 42.5 tp60 -60.61 -43.43 97.46 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.832 -0.622 . . . . 1.11 111.228 -172.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.813 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.3 -38.79 92.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.146 -0.479 . . . . 0.1 110.832 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 72.8 mt -67.96 -50.66 54.48 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 120.821 -0.352 . . . . 0.23 111.826 -172.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.795 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.27 -29.2 63.67 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 119.896 -0.721 . . . . 0.48 110.852 -176.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -63.17 -33.01 74.56 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.697 -0.229 . . . . 1.1 110.797 174.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 98' ' ' ALA . 37.3 t -68.08 -36.93 77.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 N-CA-C 109.899 -0.408 . . . . 0.13 109.899 173.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.5 t -61.13 -41.94 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-N 116.208 -0.451 . . . . 0.09 110.031 178.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.712 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.9 p -67.06 -39.22 86.84 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.159 -0.473 . . . . 0.27 111.315 -178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.79 98.37 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.933 0.396 . . . . 0.15 110.445 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.467 ' CD1' HG13 ' B' ' 103' ' ' VAL . 37.3 mt -65.27 -35.23 80.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.967 -0.56 . . . . 0.11 111.064 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 103' ' ' VAL . 88.5 t -61.06 -42.02 91.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 120.732 0.301 . . . . 0.12 110.324 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' B' ' 126' ' ' TYR . 15.7 m -60.9 -42.13 97.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.182 -0.463 . . . . 0.14 110.963 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.81 -42.74 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.156 -0.475 . . . . 0.16 110.362 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.36 -43.53 97.43 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.383 -0.371 . . . . 0.16 111.308 -178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.802 ' HA2' HG21 ' B' ' 66' ' ' THR . . . -65.09 -39.19 96.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.484 -0.646 . . . . 0.23 111.484 -176.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.6 p -83.33 -21.89 33.04 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.709 0.263 . . . . 0.28 111.709 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 93.4 p -94.46 166.19 12.18 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 120.861 0.362 . . . . 0.14 110.815 -176.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.9 m -99.12 138.96 35.48 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.873 -0.603 . . . . 0.09 110.535 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.66 118.09 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.378 -0.373 . . . . 0.13 110.477 -179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.44 -124.4 5.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.646 -0.982 . . . . 0.3 110.646 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.28 133.19 40.93 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.159 -0.311 . . . . 2.06 110.159 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.504 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -95.63 118.11 41.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 CA-C-N 116.411 -0.358 . . . . 1.21 110.45 -177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -77.32 99.0 5.38 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.104 -0.498 . . . . 0.67 109.893 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.19 -40.72 90.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.876 -0.602 . . . . 1.26 111.272 -170.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.21 90.72 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.558 -0.617 . . . . 0.21 111.558 -176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.62 -9.55 58.79 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 112.054 0.391 . . . . 0.18 112.054 -176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -56.96 -34.06 67.68 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 120.728 0.299 . . . . 0.17 110.956 -178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.14 86.48 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.272 -0.422 . . . . 0.19 110.818 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.35 -44.04 88.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 1.12 110.567 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.4 ' CD2' ' HA ' ' B' ' 108' ' ' SER . 94.2 m-85 -64.25 -31.94 73.33 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.932 0.396 . . . . 1.22 111.03 178.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.766 ' OG1' HG11 ' B' ' 53' ' ' VAL . 15.6 m -60.24 -40.28 89.7 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.417 -0.356 . . . . 0.21 110.308 173.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -63.45 -35.07 79.22 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.013 -0.54 . . . . 1.64 110.888 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.47 -46.91 88.34 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.654 0.264 . . . . 0.44 110.817 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.698 HG21 ' HA ' ' B' ' 104' ' ' SER . 64.1 t -65.0 -45.9 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.314 -0.403 . . . . 0.16 110.719 -179.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.442 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -57.13 -41.24 92.56 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.364 -0.694 . . . . 0.18 111.364 178.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -63.9 -42.59 97.4 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.518 0.199 . . . . 1.21 111.05 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -62.06 -38.65 89.59 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.43 -0.35 . . . . 0.24 111.077 -177.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.786 HG13 ' HB1' ' B' ' 37' ' ' ALA . 87.7 t -65.39 -48.62 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 116.369 -0.378 . . . . 0.23 110.438 178.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.39 -46.3 90.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.548 -0.296 . . . . 0.27 110.974 -175.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.71 -37.7 79.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.127 -0.488 . . . . 2.28 111.172 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.23 95.6 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.423 -0.353 . . . . 0.36 111.443 -173.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.67 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.2 mm? -95.4 -8.29 35.99 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 111.925 0.343 . . . . 0.87 111.925 -178.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.94 -36.41 67.18 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.622 0.249 . . . . 1.16 110.543 177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 117.928 -1.485 . . . . 2.62 110.852 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.4 mmm . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.38 -0.6 . . . . 33.16 109.38 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.86 -35.33 79.78 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.175 -0.466 . . . . 32.82 110.828 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 m -64.43 -36.76 85.21 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.277 -0.419 . . . . 32.83 110.921 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 87.5 mtp -98.29 123.62 42.48 Favored 'General case' 0 C--O 1.231 0.126 0 CA-C-N 116.168 -0.469 . . . . 34.46 110.544 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.96 -38.61 82.99 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.202 -0.453 . . . . 31.75 110.579 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -97.73 -127.2 5.64 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.025 -0.83 . . . . 30.32 111.025 -179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.75 34.88 29.9 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 29.16 111.025 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -65.68 -36.96 85.14 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.614 0.245 . . . . 29.37 110.689 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -107.83 151.47 25.7 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.172 -0.467 . . . . 29.22 110.525 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 13.5 mmt -64.75 -36.17 83.44 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.213 -0.449 . . . . 27.3 110.88 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 156.56 -113.52 0.57 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.897 -0.881 . . . . 26.28 110.897 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -120.46 147.62 44.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.642 0.258 . . . . 27.96 110.539 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -177.45 -141.46 4.1 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.99 -0.844 . . . . 25.39 110.99 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 33.2 t 59.87 95.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.659 0.266 . . . . 25.26 111.008 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 64.8 mtt -98.8 145.46 26.93 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.213 -0.449 . . . . 25.89 110.598 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.56 -178.22 38.45 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.867 -0.893 . . . . 24.22 110.867 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.54 149.76 32.16 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.669 0.271 . . . . 23.68 110.668 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.24 155.45 35.24 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.12 -0.491 . . . . 22.43 110.376 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 57.7 m -118.68 129.44 55.29 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.29 -0.414 . . . . 21.41 110.609 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.512 ' O ' HG23 ' B' ' 22' ' ' VAL . . . 55.53 23.52 6.04 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 116.127 -0.488 . . . . 20.15 111.758 178.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.05 31.57 20.16 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.824 0.345 . . . . 19.42 111.274 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . 0.512 HG23 ' O ' ' B' ' 20' ' ' ALA . 22.1 t -112.7 137.64 44.84 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 116.27 -0.423 . . . . 18.26 110.255 -177.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 50.1 m -117.63 149.05 41.33 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.136 -0.484 . . . . 17.23 110.386 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 28.6 m -129.24 158.2 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.219 -0.446 . . . . 16.38 110.687 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -169.97 -177.53 40.37 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.913 -0.875 . . . . 14.42 110.913 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -139.02 -49.46 0.06 OUTLIER Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.912 -0.875 . . . . 12.9 110.912 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -115.43 143.48 45.23 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.602 0.239 . . . . 12.61 110.506 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.59 -80.5 0.2 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 111.053 -0.819 . . . . 8.77 111.053 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -57.8 133.17 54.41 Favored 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 121.892 1.728 . . . . 7.53 112.343 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -137.27 33.27 2.56 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.197 -0.456 . . . . 8.51 110.712 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -64.64 -35.42 80.97 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.241 -0.436 . . . . 5.0 111.005 -178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 90.7 p -112.59 154.25 26.3 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.277 -0.419 . . . . 3.86 110.623 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 29.6 t -79.48 154.28 29.0 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.251 -0.431 . . . . 1.67 110.551 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -175.72 -58.87 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.236 -0.438 . . . . 0.47 111.073 -179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.464 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.2 Cg_endo -55.49 -21.52 30.82 Favored 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 121.586 1.524 . . . . 0.44 112.609 -178.642 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.612 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.03 -47.17 91.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.21 -0.293 . . . . 0.32 110.21 176.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.786 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -65.89 -40.75 91.86 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.336 -0.393 . . . . 0.24 110.644 178.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -59.73 -42.2 92.59 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.268 -0.424 . . . . 1.14 111.012 -179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.79 -40.82 92.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.208 -0.451 . . . . 0.24 110.617 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.93 -37.61 87.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.801 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.485 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.01 -38.65 86.35 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.255 -0.43 . . . . 0.17 110.607 178.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 33.7 m -62.19 -48.2 81.11 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.995 -177.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -75.81 -22.01 56.75 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.786 -0.365 . . . . 2.91 111.536 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.773 HD22 HD12 ' B' ' 100' ' ' LEU . 6.1 tp -62.12 -32.71 73.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 110.335 -0.246 . . . . 0.16 110.335 171.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.7 p -79.06 -2.7 41.68 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 111.938 0.347 . . . . 1.35 111.938 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 80.5 p -66.39 152.25 94.83 Favored Pre-proline 0 CA--C 1.533 0.298 0 C-N-CA 121.188 -0.205 . . . . 0.25 110.699 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_exo -55.41 -36.1 93.31 Favored 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 121.841 1.694 . . . . 0.58 112.374 -179.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.89 95.44 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.275 -0.42 . . . . 0.41 110.817 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.613 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.16 -43.9 85.64 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.109 -0.496 . . . . 0.29 110.791 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m -59.43 -41.33 89.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.453 -0.34 . . . . 1.2 110.991 -178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.5 m -62.76 -41.63 99.31 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.163 -0.471 . . . . 1.37 110.83 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.685 ' NE ' HG22 ' B' ' 82' ' ' VAL . 71.2 mtm-85 -64.3 -34.67 78.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.236 -0.438 . . . . 1.87 110.979 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.766 HG11 ' OG1' ' A' ' 127' ' ' THR . 61.1 t -61.41 -45.09 99.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 110.033 -0.358 . . . . 0.21 110.033 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.3 m -58.87 -44.87 91.18 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.278 -0.419 . . . . 1.19 110.744 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.4 m -61.61 -36.35 80.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.94 -0.573 . . . . 1.23 110.637 178.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.79 76.06 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.116 -0.493 . . . . 0.18 110.705 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.668 ' O ' HG23 ' B' ' 61' ' ' VAL . 29.3 t -63.22 -53.21 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.406 -0.361 . . . . 0.15 110.159 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.7 p -59.38 -39.06 82.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.283 -0.417 . . . . 0.95 111.136 -177.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -65.24 -50.72 64.73 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.366 -0.379 . . . . 1.23 110.966 -177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 38.3 mt -66.13 -39.75 90.12 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.423 -0.353 . . . . 0.21 111.026 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.668 HG23 ' O ' ' B' ' 57' ' ' VAL . 89.5 t -65.51 -49.34 78.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.247 -0.433 . . . . 0.22 110.876 -176.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 86.0 p -73.17 -43.12 61.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.541 -0.299 . . . . 1.31 111.163 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.9 m -74.61 -37.74 62.76 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.433 -0.349 . . . . 0.24 110.893 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.28 108.44 0.79 Allowed Glycine 0 CA--C 1.533 1.217 0 N-CA-C 110.535 -1.026 . . . . 0.18 110.535 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -42.61 -32.18 2.28 Favored 'Trans proline' 0 N--CA 1.5 1.897 0 C-N-CA 122.387 2.058 . . . . 0.3 114.046 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.802 HG21 ' HA2' ' A' ' 111' ' ' GLY . 81.8 p -124.8 31.7 5.61 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.669 0.271 . . . . 0.51 111.46 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.537 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 59.7 t30 -95.25 139.4 31.62 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.709 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.87 -44.56 95.78 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.375 -0.375 . . . . 0.75 110.544 177.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.537 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -65.9 -37.74 86.89 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.197 -0.456 . . . . 0.19 110.775 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.24 81.03 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.212 -0.449 . . . . 0.21 110.804 -178.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.01 -40.22 97.09 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.417 -0.356 . . . . 0.25 110.884 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.5 p -62.78 -41.99 99.49 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.41 -0.359 . . . . 0.18 110.868 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -64.01 -45.43 88.99 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.258 -0.428 . . . . 0.98 111.129 -178.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.679 ' O ' HG23 ' B' ' 78' ' ' VAL . 19.7 m -65.22 -46.86 78.95 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.31 -0.405 . . . . 0.29 110.849 -176.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.686 ' O ' HG23 ' B' ' 79' ' ' VAL . 72.3 mt -63.11 -45.73 97.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 CA-C-N 116.605 -0.271 . . . . 1.01 110.698 -177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -61.05 -50.14 74.52 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.759 0.314 . . . . 1.25 110.886 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 20.4 m -62.61 -45.25 93.75 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.044 -0.526 . . . . 1.39 111.132 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.73 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.5 t -63.78 -46.58 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-N 116.303 -0.408 . . . . 0.23 110.606 -176.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.686 HG23 ' O ' ' B' ' 75' ' ' ILE . 87.9 t -58.08 -43.09 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-O 120.707 0.289 . . . . 0.16 110.512 -177.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.8 m -60.54 -54.1 49.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.224 -0.444 . . . . 1.08 111.081 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -67.65 -35.57 79.12 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 115.954 -0.567 . . . . 0.93 111.577 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.73 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.1 t -63.13 -36.91 77.86 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 110.388 -0.226 . . . . 0.22 110.388 178.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 14.5 t -65.64 -37.56 86.91 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.328 -0.396 . . . . 1.19 110.771 175.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.65 98.83 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.105 -0.498 . . . . 0.29 111.108 -177.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.2 -37.06 69.34 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.297 -0.41 . . . . 0.27 110.517 179.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.652 ' HB3' HD12 ' B' ' 89' ' ' LEU . 72.9 m-20 -113.65 69.94 1.59 Allowed Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.032 -0.531 . . . . 0.23 110.746 -174.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -72.87 -29.21 12.57 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.667 1.578 . . . . 0.19 112.054 171.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.0 -30.81 79.0 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.594 -0.603 . . . . 0.18 111.594 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.652 HD12 ' HB3' ' B' ' 86' ' ' ASN . 96.5 mt -76.75 153.39 35.04 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.74 0.305 . . . . 0.21 110.893 -176.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 49.6 m -68.97 165.28 20.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.002 -0.544 . . . . 0.19 110.417 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -58.78 -37.17 89.68 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.397 -0.681 . . . . 0.14 111.397 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.602 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.2 t -66.83 -38.53 86.6 Favored 'General case' 0 C--O 1.231 0.103 0 C-N-CA 121.084 -0.247 . . . . 0.11 110.723 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.1 -36.64 80.21 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.736 -0.211 . . . . 0.15 110.816 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 30.1 t -62.95 -45.07 99.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.495 -0.321 . . . . 0.15 110.198 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.63 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 20.5 tp -62.24 -42.18 99.09 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.12 -0.491 . . . . 0.18 110.746 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.624 ' O ' HD23 ' B' ' 100' ' ' LEU . 62.0 t -58.5 -51.28 73.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 116.347 -0.388 . . . . 0.13 110.08 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.541 ' HB3' HG11 ' B' ' 82' ' ' VAL . 42.3 tp60 -60.41 -43.51 96.62 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.855 -0.611 . . . . 1.11 111.179 -172.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.823 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.49 -38.62 91.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.139 -0.482 . . . . 0.1 110.776 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 75.2 mt -67.55 -51.91 45.02 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.492 -0.322 . . . . 0.23 111.574 -172.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.773 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.72 -28.78 63.92 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 119.953 -0.699 . . . . 0.48 111.004 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -63.55 -32.64 74.16 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.647 -0.251 . . . . 1.1 110.744 174.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.5 t -68.55 -36.59 75.32 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.738 -0.468 . . . . 0.13 109.738 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.702 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.1 t -61.64 -41.67 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 116.248 -0.433 . . . . 0.09 109.891 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.698 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.8 p -67.39 -39.04 85.59 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.201 -0.454 . . . . 0.27 111.225 -178.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.0 -43.6 98.66 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.911 0.386 . . . . 0.15 110.419 178.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.465 HD11 HG13 ' A' ' 103' ' ' VAL . 36.4 mt -65.6 -35.23 80.23 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.881 -0.6 . . . . 0.11 110.913 178.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.702 HG23 ' O ' ' B' ' 103' ' ' VAL . 86.1 t -61.07 -41.84 90.84 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-O 120.69 0.281 . . . . 0.12 110.311 176.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . 0.4 ' HA ' ' CD2' ' A' ' 126' ' ' TYR . 15.8 m -61.19 -41.89 97.62 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.185 -0.461 . . . . 0.14 110.917 179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.04 -42.43 95.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.187 -0.461 . . . . 0.16 110.341 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.413 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 80.8 mt -63.63 -43.48 96.72 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.318 -0.401 . . . . 0.16 111.266 -178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.797 ' HA2' HG21 ' A' ' 66' ' ' THR . . . -64.87 -39.7 96.74 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.31 -0.716 . . . . 0.23 111.31 -176.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -83.17 -22.21 33.31 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 111.591 0.219 . . . . 0.28 111.591 179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.413 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 93.5 p -93.69 166.83 12.03 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 120.804 0.335 . . . . 0.14 110.872 -176.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 56.9 m -99.63 139.05 35.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.871 -0.604 . . . . 0.09 110.437 -177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.0 mp -97.95 118.1 43.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.401 -0.363 . . . . 0.13 110.376 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -98.38 -124.48 5.05 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.718 -0.953 . . . . 0.3 110.718 178.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -96.21 133.21 40.8 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.49 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -95.7 118.09 41.2 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.446 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -77.15 98.96 5.23 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.092 -0.504 . . . . 0.67 109.939 175.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -65.98 -40.95 91.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 1.26 111.261 -170.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.63 -35.3 90.94 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 111.596 -0.602 . . . . 0.21 111.596 -176.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -73.49 -9.73 58.99 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 112.028 0.381 . . . . 0.18 112.028 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -56.7 -33.94 66.94 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.682 0.277 . . . . 0.17 111.093 -178.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.72 -37.13 86.56 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.245 -0.434 . . . . 0.19 110.77 178.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -65.13 -43.87 90.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.279 -0.419 . . . . 1.12 110.651 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 108' ' ' SER . 94.3 m-85 -64.76 -31.45 72.68 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.31 -0.404 . . . . 1.22 110.839 178.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.765 ' OG1' HG11 ' A' ' 53' ' ' VAL . 15.8 m -60.71 -39.86 90.16 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.407 -0.36 . . . . 0.21 110.283 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -63.85 -35.0 79.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.019 -0.537 . . . . 1.64 110.755 176.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 66.0 mtp -60.48 -46.83 88.65 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.656 -0.247 . . . . 0.44 110.782 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.712 HG21 ' HA ' ' A' ' 104' ' ' SER . 64.4 t -65.16 -46.16 91.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.388 -0.369 . . . . 0.16 110.603 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.43 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.75 -41.33 90.4 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.482 -0.647 . . . . 0.18 111.482 178.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -64.03 -42.21 97.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.594 0.235 . . . . 1.21 111.078 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.6 p -62.36 -38.6 90.19 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.334 -0.393 . . . . 0.24 110.975 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.748 HG13 ' HB1' ' A' ' 37' ' ' ALA . 86.8 t -65.48 -48.53 82.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 116.421 -0.354 . . . . 0.24 110.506 178.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.33 -46.14 90.96 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.511 -0.313 . . . . 0.27 111.119 -176.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -68.97 -37.5 78.84 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.146 -0.479 . . . . 2.28 111.091 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.33 -43.38 94.79 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.358 -0.383 . . . . 0.36 111.361 -173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.674 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.2 mm? -95.06 -8.85 35.48 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 111.877 0.325 . . . . 0.87 111.877 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.56 -36.27 68.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.637 0.256 . . . . 1.16 110.629 177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.756 0 CA-C-O 117.967 -1.463 . . . . 2.35 110.957 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.63 0 N-CA-C 109.406 -0.59 . . . . 36.65 109.406 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.09 142.66 54.41 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.23 -0.441 . . . . 37.14 110.702 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 m -156.93 -62.23 0.09 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.22 -0.446 . . . . 36.26 110.502 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.1 ttp -66.34 -37.75 86.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.117 -0.492 . . . . 36.12 110.635 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 t -139.93 156.57 46.61 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.252 -0.431 . . . . 35.35 110.633 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.39 -69.22 1.04 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.992 -0.843 . . . . 34.84 110.992 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -174.79 50.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.035 -0.826 . . . . 34.37 111.035 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -95.84 156.78 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.635 0.255 . . . . 34.86 110.508 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -63.94 -35.5 80.89 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.207 -0.451 . . . . 33.57 110.973 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 64.6 mtt -93.68 134.15 36.3 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.235 -0.438 . . . . 32.05 110.528 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.46 177.35 51.73 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.768 -0.933 . . . . 30.8 110.768 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -158.24 153.16 25.16 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.709 0.29 . . . . 30.94 110.677 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -105.42 -76.01 1.03 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.858 -0.897 . . . . 29.08 110.858 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.9 p -77.81 164.31 25.31 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.689 0.28 . . . . 27.99 110.565 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.65 -35.66 81.73 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.159 -0.473 . . . . 27.87 110.891 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.6 -152.6 35.74 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.893 -0.883 . . . . 26.05 110.893 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 143.19 55.77 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.657 0.265 . . . . 24.72 110.577 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.24 85.84 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.209 -0.45 . . . . 23.32 110.693 -179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 85.6 p -153.27 164.04 38.82 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.287 -0.415 . . . . 22.02 110.672 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.86 155.79 18.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.182 -0.463 . . . . 21.23 110.516 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.7 29.94 3.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.37 -0.377 . . . . 19.47 111.061 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 t -130.96 132.04 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.968 -0.382 . . . . 17.85 109.968 179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 87.3 p -147.54 156.45 42.84 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.212 -0.449 . . . . 14.96 110.591 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.5 t -128.56 134.5 64.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 CA-C-N 116.167 -0.47 . . . . 14.71 110.065 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -86.81 -175.47 49.35 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.942 -0.863 . . . . 11.62 110.942 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.15 50.84 6.05 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.973 -0.851 . . . . 9.69 110.973 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -147.08 74.82 1.35 Allowed 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.062 0.458 . . . . 14.31 110.527 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.34 89.37 0.16 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.12 -0.792 . . . . 7.32 111.12 178.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.88 152.03 77.63 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.683 1.589 . . . . 5.74 111.907 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -147.66 74.83 1.33 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.21 -0.45 . . . . 8.09 110.503 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.5 t -119.41 126.56 51.66 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.044 -0.525 . . . . 3.07 110.48 178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.7 p -173.69 85.88 0.05 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.234 -0.439 . . . . 2.27 110.51 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.1 t -158.87 -47.37 0.06 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.209 -0.451 . . . . 0.79 110.861 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.695 ' HA ' HD23 ' B' ' 138' ' ' LEU . . . -63.04 -59.18 13.09 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.342 -0.39 . . . . 0.47 111.269 -178.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.505 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 14.0 Cg_endo -56.54 -23.48 48.35 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 121.542 1.495 . . . . 0.44 112.67 -177.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.525 HG12 HD22 ' B' ' 95' ' ' LEU . 23.0 t -64.8 -48.85 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-O 120.753 0.311 . . . . 0.31 110.167 177.052 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -65.79 -35.47 80.79 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.231 -0.441 . . . . 0.24 110.759 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.38 -43.6 98.59 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.379 -0.373 . . . . 1.14 110.819 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.47 -40.19 92.87 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.595 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.04 93.35 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.189 -0.459 . . . . 0.18 111.001 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.31 -38.05 84.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.227 -0.442 . . . . 0.17 110.674 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.3 m -62.17 -48.39 80.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.358 -0.383 . . . . 1.26 110.95 -177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.4 ptt180 -75.32 -22.77 57.4 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 120.768 -0.373 . . . . 2.91 111.567 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.826 HD22 HD12 ' A' ' 100' ' ' LEU . 8.7 tp -61.9 -32.3 72.67 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 110.541 -0.17 . . . . 0.16 110.541 171.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.74 -5.07 52.26 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 111.897 0.332 . . . . 1.35 111.897 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.4 p -65.9 152.23 93.72 Favored Pre-proline 0 CA--C 1.532 0.263 0 C-N-CA 121.325 -0.15 . . . . 0.25 110.797 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -57.85 -32.24 94.48 Favored 'Trans proline' 0 N--CA 1.499 1.813 0 C-N-CA 121.87 1.713 . . . . 0.57 112.083 -177.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.06 -41.35 97.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.344 -0.389 . . . . 0.41 110.658 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.23 -45.44 80.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.202 -0.453 . . . . 0.29 110.761 -178.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.7 p -59.4 -40.61 87.16 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.839 0.352 . . . . 1.2 111.138 -177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -62.75 -41.58 99.27 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.023 -0.535 . . . . 1.37 110.794 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' NE ' HG22 ' A' ' 82' ' ' VAL . 68.8 mtm-85 -64.58 -34.48 78.36 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.262 -0.426 . . . . 1.87 111.124 178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 49' ' ' ALA . 58.3 t -61.64 -45.23 99.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 N-CA-C 110.204 -0.295 . . . . 0.21 110.204 177.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 m -59.21 -43.53 92.28 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.31 -0.405 . . . . 1.19 110.641 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.6 m -62.19 -36.81 83.05 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.921 -0.581 . . . . 1.23 110.668 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -33.94 76.09 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.2 -0.455 . . . . 0.18 110.851 176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 61' ' ' VAL . 35.1 t -63.13 -52.26 61.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.388 -0.369 . . . . 0.15 110.15 178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.06 -39.77 87.15 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.243 -0.435 . . . . 0.95 111.317 -177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.1 t -65.99 -53.25 41.2 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.34 -0.391 . . . . 1.23 110.992 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.6 mt -65.9 -40.83 91.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.442 -0.345 . . . . 0.21 111.079 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 57' ' ' VAL . 83.5 t -65.85 -47.22 86.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 116.295 -0.411 . . . . 0.22 111.008 -175.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.4 m -71.65 -43.11 66.67 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.617 -0.265 . . . . 1.31 111.226 -174.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 66.3 m -78.12 -38.14 44.62 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.536 -0.302 . . . . 0.24 111.04 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.61 107.25 0.56 Allowed Glycine 0 CA--C 1.534 1.225 0 N-CA-C 110.625 -0.99 . . . . 0.18 110.625 -177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_exo -42.71 -31.85 2.23 Favored 'Trans proline' 0 N--CA 1.5 1.889 0 C-N-CA 122.439 2.092 . . . . 0.3 114.137 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.732 HG21 ' N ' ' B' ' 111' ' ' GLY . 72.3 p -126.71 32.07 5.21 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.671 0.272 . . . . 0.51 111.613 -174.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.523 ' ND2' ' HB3' ' A' ' 69' ' ' ALA . 65.6 t30 -94.64 137.98 33.07 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.561 -0.29 . . . . 0.56 110.687 178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -63.49 -39.87 95.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.504 -0.316 . . . . 0.75 110.571 178.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.523 ' HB3' ' ND2' ' A' ' 67' ' ' ASN . . . -66.33 -43.06 87.19 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.365 -0.38 . . . . 0.19 110.67 -179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.49 95.11 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.086 -0.506 . . . . 0.21 110.808 -179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.4 mt -63.22 -43.0 99.35 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.428 -0.351 . . . . 0.25 110.756 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 78.7 p -60.32 -40.12 89.47 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.513 -0.312 . . . . 0.18 110.831 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.1 -43.54 98.18 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.169 -0.469 . . . . 0.98 111.21 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.649 ' O ' HG23 ' A' ' 78' ' ' VAL . 21.3 m -66.09 -48.51 70.7 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.202 -0.454 . . . . 0.29 110.996 -176.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.64 ' O ' HG23 ' A' ' 79' ' ' VAL . 50.5 mm -62.2 -45.76 98.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 CA-C-N 116.749 -0.205 . . . . 1.01 110.7 -177.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.0 p -61.34 -50.73 71.76 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 1.25 110.987 -177.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 22.4 m -63.5 -46.76 84.63 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.93 -0.577 . . . . 1.39 111.197 -176.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.5 t -63.9 -47.42 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.616 -175.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 75' ' ' ILE . 97.3 t -59.34 -42.53 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.654 0.264 . . . . 0.16 110.517 -177.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -60.41 -54.02 50.65 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.307 -0.406 . . . . 1.08 111.085 -179.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.32 -36.01 80.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.994 -0.548 . . . . 0.93 111.411 -174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.5 t -62.84 -37.03 78.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 110.358 -0.238 . . . . 0.22 110.358 178.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 t -64.79 -37.95 89.33 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.351 -0.386 . . . . 1.19 110.867 175.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.62 98.19 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.134 -0.485 . . . . 0.29 111.191 -178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -73.14 -36.14 66.62 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.254 -0.43 . . . . 0.27 110.46 178.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.55 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.1 m-20 -112.3 71.28 1.11 Allowed Pre-proline 0 CA--C 1.538 0.489 0 CA-C-N 116.19 -0.459 . . . . 0.23 110.997 -174.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.52 -32.05 3.08 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 121.631 1.554 . . . . 0.19 111.943 169.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.52 -30.31 77.54 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.99 153.24 29.01 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.699 0.285 . . . . 0.21 110.779 -177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.8 m -67.82 164.44 19.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.137 -0.483 . . . . 0.19 110.731 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.5 94.99 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 111.447 -0.661 . . . . 0.14 111.447 -178.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.61 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.8 t -65.86 -36.86 84.63 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 121.087 -0.245 . . . . 0.11 110.712 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -61.4 -38.3 86.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.625 -0.261 . . . . 0.15 110.881 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.2 t -62.71 -44.35 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.337 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.735 HD11 ' HB2' ' B' ' 37' ' ' ALA . 13.6 tp -62.07 -42.76 99.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.201 -0.454 . . . . 0.18 110.896 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.626 ' O ' HD23 ' A' ' 100' ' ' LEU . 58.4 t -58.5 -50.54 78.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 109.856 -0.424 . . . . 0.13 109.856 179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.54 ' HA ' HD21 ' A' ' 100' ' ' LEU . 43.7 tp60 -59.5 -43.57 93.3 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.834 -0.621 . . . . 1.11 111.218 -173.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.739 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -62.73 -39.68 94.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.025 -0.534 . . . . 0.1 110.752 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' B' ' 100' ' ' LEU . 81.5 mt -67.3 -50.73 59.03 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 120.796 -0.362 . . . . 0.23 111.832 -172.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.826 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.26 -29.11 63.59 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 119.856 -0.738 . . . . 0.48 110.93 -175.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.23 -34.01 76.73 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.592 0.234 . . . . 1.1 110.844 174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 98' ' ' ALA . 43.0 t -68.4 -36.71 76.02 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 N-CA-C 109.938 -0.393 . . . . 0.13 109.938 174.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.599 ' O ' HG23 ' A' ' 107' ' ' VAL . 26.0 t -60.65 -42.12 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 CA-C-N 116.276 -0.42 . . . . 0.09 110.062 178.213 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.683 ' HA ' HG21 ' B' ' 130' ' ' VAL . 2.1 p -67.04 -39.07 86.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.237 -0.438 . . . . 0.27 111.306 -178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.8 97.64 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.001 0.429 . . . . 0.15 110.522 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.493 ' HA ' HD12 ' A' ' 109' ' ' ILE . 53.4 mt -65.29 -35.96 82.6 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.941 -0.572 . . . . 0.11 111.091 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 103' ' ' VAL . 98.9 t -60.74 -41.9 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-O 120.753 0.311 . . . . 0.12 110.233 176.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.1 m -60.3 -40.75 91.59 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.28 -0.418 . . . . 0.14 110.877 179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 106' ' ' LEU . 67.5 mt -63.54 -42.97 98.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-N 116.044 -0.525 . . . . 0.16 110.434 179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.413 ' HB2' HG22 ' B' ' 66' ' ' THR . 82.2 mt -63.21 -43.93 96.73 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.461 -0.336 . . . . 0.16 111.386 -178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.736 ' N ' HG21 ' B' ' 66' ' ' THR . . . -65.9 -39.28 94.92 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.379 -0.688 . . . . 0.23 111.379 -176.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 94.3 p -80.26 -24.2 40.26 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 111.513 0.19 . . . . 0.28 111.513 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.404 ' HG ' ' HA ' ' A' ' 110' ' ' LEU . 92.2 p -94.59 166.29 12.1 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-O 120.868 0.366 . . . . 0.14 110.898 -176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.0 m -100.18 141.25 33.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.755 -0.657 . . . . 0.09 110.36 -178.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.2 mp -98.06 124.17 50.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 0.13 110.483 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.58 -126.57 5.89 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.755 -0.938 . . . . 0.3 110.755 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -98.38 122.92 42.15 Favored 'General case' 0 C--O 1.232 0.155 0 N-CA-C 110.319 -0.252 . . . . 2.06 110.319 177.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 36.9 mm -77.03 132.5 32.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 CA-C-N 116.293 -0.412 . . . . 1.21 110.472 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.2 91.31 8.47 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.096 -0.502 . . . . 0.67 109.679 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.2 -39.9 89.99 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.864 -0.607 . . . . 1.26 111.264 -169.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.56 89.68 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.67 -0.572 . . . . 0.21 111.67 -176.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.83 -0.7 35.72 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.391 0.515 . . . . 0.18 112.391 -176.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 87.0 p -57.6 -36.79 72.2 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.881 0.372 . . . . 0.17 110.912 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.69 78.74 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.103 -0.499 . . . . 0.19 111.034 178.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -64.85 -43.95 91.36 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.913 0.387 . . . . 1.12 110.443 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -63.45 -31.76 73.01 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.167 -0.469 . . . . 1.22 110.927 176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.582 ' CG2' HD11 ' B' ' 44' ' ' LEU . 6.5 m -59.53 -40.25 86.55 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.449 -0.341 . . . . 0.21 110.465 173.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -64.03 -34.63 78.46 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.928 -0.578 . . . . 1.64 110.968 176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.08 -49.47 77.19 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.761 0.315 . . . . 0.44 110.804 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.0 t -66.35 -48.08 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 116.302 -0.408 . . . . 0.16 110.698 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.445 ' CA ' HD23 ' B' ' 44' ' ' LEU . . . -56.96 -38.83 87.42 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.138 -0.785 . . . . 0.18 111.138 178.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.31 -42.22 96.45 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.475 0.179 . . . . 1.21 110.932 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.1 p -62.15 -37.58 85.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.492 -0.322 . . . . 0.24 110.967 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.784 HG13 ' HB1' ' B' ' 37' ' ' ALA . 84.5 t -64.53 -51.91 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 116.348 -0.387 . . . . 0.23 110.465 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.468 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -63.02 -49.56 74.15 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.376 -0.374 . . . . 0.27 111.158 -174.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.06 -41.47 86.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 2.28 111.197 -176.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . 0.479 ' HB3' HD12 ' A' ' 138' ' ' LEU . . . -66.32 -43.26 86.68 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.343 -0.389 . . . . 0.36 111.441 -173.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 34' ' ' ALA . 6.7 mp -96.22 -8.25 33.48 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.197 0.443 . . . . 0.87 112.197 -174.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.468 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -72.08 -36.15 69.44 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 121.113 -0.235 . . . . 1.16 110.546 177.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.73 0 CA-C-O 118.006 -1.441 . . . . 2.62 110.96 179.884 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.6 tmm? . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.268 -0.641 . . . . 33.16 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.38 95.23 2.68 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.258 -0.428 . . . . 32.82 110.573 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 31.4 t -144.9 150.9 37.85 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.235 -0.439 . . . . 32.83 110.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 88.7 mtp -85.67 114.01 22.32 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.199 -0.455 . . . . 34.46 110.561 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 12.0 m -68.0 -38.18 82.33 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.166 -0.47 . . . . 31.75 110.751 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . -84.28 -170.9 47.39 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.171 -0.772 . . . . 30.32 111.171 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.89 157.05 27.43 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.02 -0.832 . . . . 29.16 111.02 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -96.72 113.28 24.82 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-O 120.627 0.251 . . . . 29.37 110.361 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -142.11 139.48 32.21 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.188 -0.46 . . . . 29.22 110.46 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 72.5 mtm -135.51 154.73 51.3 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.246 -0.434 . . . . 27.3 110.566 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 177.81 175.24 44.84 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.979 -0.849 . . . . 26.28 110.979 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -139.96 152.83 46.65 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.685 0.278 . . . . 27.96 110.592 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 148.02 -58.86 0.47 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.906 -0.877 . . . . 25.39 110.906 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -65.14 -36.19 83.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.645 0.259 . . . . 25.26 110.865 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 74.0 mtm -65.81 -36.39 83.37 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.247 -0.433 . . . . 25.89 110.855 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.34 126.87 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.02 -0.832 . . . . 24.22 111.02 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -149.43 155.1 39.9 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.597 0.237 . . . . 23.68 110.517 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -150.56 34.87 0.62 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.248 -0.433 . . . . 22.43 110.757 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.0 t -127.48 140.87 51.86 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.277 -0.42 . . . . 21.41 110.538 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.68 148.22 49.56 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.231 -0.44 . . . . 20.15 110.526 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.98 124.84 28.65 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.228 -0.442 . . . . 19.42 110.571 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 23.1 t -128.23 138.3 55.04 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.197 -0.456 . . . . 18.26 110.088 179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 91.2 p -108.43 147.36 31.74 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.269 -0.423 . . . . 17.23 110.56 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.94 -39.68 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 116.185 -0.462 . . . . 16.38 110.269 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.53 -178.6 52.05 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.015 -0.834 . . . . 14.42 111.015 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 154.05 141.46 3.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.977 -0.849 . . . . 12.9 110.977 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -127.27 137.14 52.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 120.574 0.226 . . . . 12.61 110.446 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.48 -168.12 12.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.057 -0.817 . . . . 8.77 111.057 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -61.98 -29.53 81.98 Favored 'Trans proline' 0 N--CA 1.498 1.737 0 C-N-CA 121.771 1.647 . . . . 7.53 112.17 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 62.8 154.8 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.469 -0.332 . . . . 8.51 110.903 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m 60.46 94.28 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.253 -0.43 . . . . 5.0 110.962 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -129.27 161.42 30.24 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-N 116.103 -0.499 . . . . 3.86 110.396 179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -66.56 121.36 15.17 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.33 -0.396 . . . . 1.67 110.68 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.673 ' HA ' HD23 ' A' ' 138' ' ' LEU . . . -179.5 -59.84 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.155 -0.475 . . . . 0.47 110.982 -178.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.502 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 12.8 Cg_endo -56.19 -23.57 45.78 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 121.627 1.552 . . . . 0.44 112.618 -177.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.532 HG12 HD22 ' A' ' 95' ' ' LEU . 23.3 t -64.82 -48.82 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 N-CA-C 110.065 -0.346 . . . . 0.32 110.065 177.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.784 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.02 -35.24 80.01 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.265 -0.425 . . . . 0.24 110.68 178.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 19.9 m -61.47 -43.53 98.71 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.425 -0.352 . . . . 1.14 110.82 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.59 -39.96 92.19 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.202 -0.454 . . . . 0.24 110.603 178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.22 -38.96 93.22 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.846 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.41 -38.02 83.98 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.219 -0.446 . . . . 0.17 110.673 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 26.5 m -62.21 -48.09 81.56 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.194 -0.457 . . . . 1.26 111.025 -177.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -75.99 -21.88 56.45 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 120.752 -0.379 . . . . 2.91 111.537 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.804 HD22 HD12 ' B' ' 100' ' ' LEU . 9.3 tp -62.18 -32.78 73.45 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 110.332 -0.247 . . . . 0.16 110.332 171.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -78.49 -5.04 51.45 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.864 0.32 . . . . 1.35 111.864 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 p -65.98 152.5 93.44 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 121.226 -0.19 . . . . 0.25 110.661 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.04 -32.2 94.83 Favored 'Trans proline' 0 N--CA 1.5 1.887 0 C-N-CA 121.759 1.639 . . . . 0.58 112.104 -178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.97 -41.5 97.52 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.367 -0.379 . . . . 0.41 110.609 179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.18 -45.24 81.58 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.166 -0.47 . . . . 0.29 110.826 -178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 89.5 p -59.61 -40.59 88.04 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.412 -0.358 . . . . 1.2 110.968 -177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.6 m -62.76 -41.37 99.19 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.177 -0.465 . . . . 1.37 110.746 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.679 ' NE ' HG22 ' B' ' 82' ' ' VAL . 69.1 mtm-85 -64.88 -34.48 78.49 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.132 -0.486 . . . . 1.87 110.96 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 49' ' ' ALA . 58.1 t -61.61 -45.17 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.468 -0.333 . . . . 0.21 110.167 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.4 m -59.33 -43.44 92.7 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.269 -0.423 . . . . 1.19 110.75 178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 21.1 m -62.19 -36.61 82.43 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.868 -0.606 . . . . 1.23 110.657 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.95 -33.92 76.39 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.211 -0.449 . . . . 0.18 110.771 176.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.533 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.2 t -63.03 -51.95 65.35 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 116.322 -0.399 . . . . 0.15 110.298 178.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.6 p -60.52 -39.77 88.99 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.298 -0.41 . . . . 0.95 111.117 -177.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -65.77 -53.43 40.48 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.346 -0.388 . . . . 1.23 111.014 -176.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.77 -40.81 92.37 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.404 -0.362 . . . . 0.21 111.097 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.533 HG23 ' O ' ' B' ' 57' ' ' VAL . 83.5 t -65.91 -47.36 85.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 116.238 -0.437 . . . . 0.22 110.904 -175.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 26.8 m -71.34 -43.32 67.22 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.589 -0.278 . . . . 1.31 111.223 -174.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 66.5 m -78.03 -38.18 45.26 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.479 -0.328 . . . . 0.24 111.018 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.58 107.04 0.55 Allowed Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.702 -0.959 . . . . 0.18 110.702 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -42.58 -31.78 2.09 Favored 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.44 2.093 . . . . 0.3 114.162 -178.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.736 HG21 ' N ' ' A' ' 111' ' ' GLY . 72.8 p -126.83 32.38 5.13 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.663 0.268 . . . . 0.51 111.541 -174.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.511 ' ND2' ' HB3' ' B' ' 69' ' ' ALA . 65.7 t30 -94.99 137.83 33.52 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.502 -0.317 . . . . 0.56 110.566 178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -63.28 -40.0 96.17 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.511 -0.313 . . . . 0.75 110.615 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.511 ' HB3' ' ND2' ' B' ' 67' ' ' ASN . . . -66.36 -42.96 87.26 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.32 -0.4 . . . . 0.19 110.662 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.88 -40.47 95.15 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.181 -0.463 . . . . 0.21 110.804 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -63.29 -42.88 99.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.297 -0.411 . . . . 0.25 110.775 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 79.4 p -60.56 -39.88 89.59 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.484 -0.326 . . . . 0.18 110.747 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -63.47 -43.49 97.17 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.125 -0.489 . . . . 0.98 110.98 179.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.655 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.1 m -66.12 -48.59 70.37 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.312 -0.404 . . . . 0.29 110.986 -176.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.639 ' O ' HG23 ' B' ' 79' ' ' VAL . 50.5 mm -62.12 -45.73 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.713 -0.221 . . . . 1.01 110.715 -177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 88.7 p -61.33 -50.67 72.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.784 0.326 . . . . 1.25 110.982 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 22.6 m -63.63 -46.92 83.52 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.028 -0.533 . . . . 1.39 111.038 -176.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.734 ' O ' HG23 ' B' ' 82' ' ' VAL . 60.3 t -63.68 -47.63 90.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 116.378 -0.373 . . . . 0.23 110.655 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.639 HG23 ' O ' ' B' ' 75' ' ' ILE . 98.4 t -59.16 -42.45 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.597 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 24.2 m -60.35 -54.22 48.22 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.27 -0.423 . . . . 1.08 111.069 -179.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -67.22 -35.9 80.55 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 116.045 -0.525 . . . . 0.93 111.504 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.734 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.3 t -63.01 -36.47 75.96 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 CA-C-O 120.582 0.229 . . . . 0.22 110.407 178.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -65.47 -37.46 86.9 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.723 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.84 99.0 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.188 -0.46 . . . . 0.29 111.037 -178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.71 -35.69 67.66 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.324 -0.398 . . . . 0.27 110.602 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.565 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -112.92 71.13 1.27 Allowed Pre-proline 0 CA--C 1.534 0.363 0 CA-C-N 116.106 -0.497 . . . . 0.23 110.869 -174.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -77.5 -32.0 3.13 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.713 1.609 . . . . 0.19 111.997 169.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.61 -30.49 78.06 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.522 -0.631 . . . . 0.18 111.522 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.3 mt -79.74 153.13 29.45 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.725 0.297 . . . . 0.21 110.839 -178.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 48.9 m -67.74 164.31 19.71 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-N 116.081 -0.509 . . . . 0.19 110.709 -177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.32 -39.56 94.84 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 111.415 -0.674 . . . . 0.14 111.415 -178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.613 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.0 t -66.04 -36.7 83.96 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 121.086 -0.246 . . . . 0.11 110.62 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -61.45 -38.12 86.05 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.691 -0.232 . . . . 0.15 110.89 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 32.4 t -62.98 -44.22 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.426 -0.352 . . . . 0.15 110.23 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.733 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.6 tp -62.25 -42.76 99.61 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.208 -0.451 . . . . 0.18 110.737 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.631 ' O ' HD23 ' B' ' 100' ' ' LEU . 59.2 t -58.48 -50.57 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.871 -0.418 . . . . 0.13 109.871 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.524 ' HA ' HD21 ' B' ' 100' ' ' LEU . 43.5 tp60 -59.43 -43.47 93.07 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.853 -0.612 . . . . 1.11 111.246 -173.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.72 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -62.92 -39.55 94.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.129 -0.487 . . . . 0.1 110.76 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 100' ' ' LEU . 82.3 mt -66.76 -51.89 50.56 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.426 -0.352 . . . . 0.23 111.635 -172.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.804 HD12 HD22 ' B' ' 44' ' ' LEU . 1.3 pt? -71.82 -28.85 63.86 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.0 -0.68 . . . . 0.48 110.958 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -63.58 -33.5 75.75 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 121.128 -0.229 . . . . 1.1 110.744 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.72 HG23 ' O ' ' B' ' 98' ' ' ALA . 44.2 t -69.05 -36.37 73.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.778 -0.453 . . . . 0.13 109.778 174.464 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.585 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.4 t -60.99 -41.99 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 116.322 -0.399 . . . . 0.09 109.953 178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.676 ' HA ' HG21 ' A' ' 130' ' ' VAL . 2.1 p -67.21 -38.88 86.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.284 -0.417 . . . . 0.27 111.203 -178.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.4 98.94 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.85 0.357 . . . . 0.15 110.487 178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' B' ' 109' ' ' ILE . 53.6 mt -65.65 -35.85 81.99 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.918 -0.583 . . . . 0.11 110.942 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 103' ' ' VAL . 99.2 t -60.96 -41.56 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 110.19 -0.3 . . . . 0.12 110.19 176.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 7.3 m -60.7 -40.4 92.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.266 -0.425 . . . . 0.14 110.79 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' B' ' 106' ' ' LEU . 67.7 mt -63.83 -42.68 96.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 CA-C-N 116.117 -0.492 . . . . 0.16 110.39 179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.424 ' HA ' ' HG ' ' B' ' 113' ' ' SER . 82.3 mt -63.51 -43.86 95.96 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.16 111.274 -178.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.732 ' N ' HG21 ' A' ' 66' ' ' THR . . . -65.7 -39.73 95.45 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.271 -0.732 . . . . 0.23 111.271 -176.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 93.2 p -79.89 -24.73 40.96 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 111.417 0.154 . . . . 0.28 111.417 178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.424 ' HG ' ' HA ' ' B' ' 110' ' ' LEU . 92.9 p -93.9 166.8 12.0 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.8 0.333 . . . . 0.14 111.002 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 67.6 m -100.59 141.16 33.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.87 -0.605 . . . . 0.09 110.355 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.3 mp -97.97 124.28 50.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.497 -0.32 . . . . 0.13 110.442 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -102.67 -126.63 5.9 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.72 -0.952 . . . . 0.3 110.72 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -98.3 122.91 42.06 Favored 'General case' 0 C--O 1.231 0.126 0 N-CA-C 110.385 -0.228 . . . . 2.06 110.385 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 36.3 mm -76.97 132.38 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.289 -0.414 . . . . 1.21 110.565 -177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -90.09 91.36 8.52 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.688 -0.486 . . . . 0.67 109.688 174.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -66.11 -40.01 90.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.899 -0.591 . . . . 1.26 111.331 -169.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.33 -34.5 89.59 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.617 -0.593 . . . . 0.21 111.617 -176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.02 -0.74 36.75 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.314 0.487 . . . . 0.18 112.314 -176.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.4 p -57.41 -36.67 71.61 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.726 0.298 . . . . 0.17 110.997 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.84 78.99 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.175 -0.466 . . . . 0.19 110.869 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -64.52 -43.81 92.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.855 0.36 . . . . 1.12 110.522 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -63.94 -31.19 72.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.196 -0.456 . . . . 1.22 110.818 177.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.578 ' CG2' HD11 ' A' ' 44' ' ' LEU . 6.7 m -60.16 -39.8 87.66 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.401 -0.363 . . . . 0.21 110.327 173.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -64.58 -34.4 78.16 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.01 -0.541 . . . . 1.64 110.792 177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 82.3 mtp -61.12 -49.41 77.37 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.636 0.255 . . . . 0.44 110.804 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.683 HG21 ' HA ' ' A' ' 104' ' ' SER . 58.8 t -66.43 -48.26 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 116.368 -0.378 . . . . 0.16 110.646 -177.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' ' 44' ' ' LEU . . . -56.69 -38.86 84.66 Favored Glycine 0 CA--C 1.531 1.045 0 N-CA-C 111.26 -0.736 . . . . 0.18 111.26 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -64.36 -41.8 96.54 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.545 0.212 . . . . 1.21 111.044 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.6 p -62.5 -37.56 86.49 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.401 -0.363 . . . . 0.24 110.848 -178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.801 HG13 ' HB1' ' A' ' 37' ' ' ALA . 85.4 t -64.5 -52.03 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.311 -0.404 . . . . 0.24 110.44 179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.478 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -62.91 -49.54 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.305 -0.407 . . . . 0.27 111.139 -174.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -67.28 -41.26 85.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.295 -0.411 . . . . 2.28 111.183 -176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . 0.491 ' HB3' HD12 ' B' ' 138' ' ' LEU . . . -66.35 -43.43 86.08 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.373 -0.376 . . . . 0.36 111.381 -173.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.695 HD23 ' HA ' ' A' ' 34' ' ' ALA . 6.7 mp -95.97 -8.8 32.79 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.143 0.423 . . . . 0.87 112.143 -174.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -71.59 -36.05 70.72 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 120.646 0.26 . . . . 1.16 110.656 177.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.721 0 CA-C-O 117.98 -1.456 . . . . 2.35 110.851 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.5 mtm . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.481 -0.562 . . . . 36.65 109.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.32 144.13 27.4 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.207 -0.451 . . . . 37.14 110.469 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.0 m -119.62 149.69 41.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.124 -0.489 . . . . 36.26 110.611 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.9 mtp -116.95 165.15 13.68 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.232 -0.44 . . . . 36.12 110.472 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.2 t -129.02 155.02 46.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.252 -0.431 . . . . 35.35 110.611 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 165.0 -172.31 40.64 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.889 -0.884 . . . . 34.84 110.889 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.17 -115.21 1.98 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.813 -0.915 . . . . 34.37 110.813 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -64.33 -35.54 81.19 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.684 0.278 . . . . 34.86 110.815 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -69.44 148.26 49.81 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.226 -0.443 . . . . 33.57 110.552 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 13.6 mmt -121.44 157.74 29.9 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.224 -0.443 . . . . 32.05 110.565 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.95 -175.64 51.11 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.944 -0.862 . . . . 30.8 110.944 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 61.78 151.31 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.759 0.314 . . . . 30.94 111.153 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -92.76 141.58 15.61 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.941 -0.864 . . . . 29.08 110.941 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.2 p -145.82 159.49 43.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 120.68 0.276 . . . . 27.99 110.572 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 72.7 mtm -114.79 140.6 48.78 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.212 -0.449 . . . . 27.87 110.454 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.92 -157.41 45.22 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.92 -0.872 . . . . 26.05 110.92 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.79 142.24 27.7 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.673 0.273 . . . . 24.72 110.497 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -145.43 154.58 42.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 23.32 110.572 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.6 t -124.61 143.42 50.72 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.218 -0.446 . . . . 22.02 110.493 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.18 -37.05 83.03 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.219 -0.446 . . . . 21.23 110.712 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.73 140.52 38.66 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.266 -0.425 . . . . 19.47 110.565 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -122.61 130.62 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.197 -0.456 . . . . 17.85 110.121 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.3 t -154.51 139.01 16.83 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 14.96 110.546 179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.1 t -125.7 130.92 72.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.272 -0.422 . . . . 14.71 110.133 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 82.51 0.12 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.091 -0.804 . . . . 11.62 111.091 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.47 55.83 0.02 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.908 -0.877 . . . . 9.69 110.908 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -103.39 33.18 3.44 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.779 0.323 . . . . 14.31 110.631 179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -62.51 135.37 44.78 Favored Glycine 0 CA--C 1.533 1.203 0 N-CA-C 111.08 -0.808 . . . . 7.32 111.08 -177.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.63 170.1 18.76 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.7 1.6 . . . . 5.74 112.23 -172.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 60.19 50.33 6.48 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 121.105 0.478 . . . . 8.09 111.083 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -56.12 -67.27 0.31 Allowed 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.962 -0.563 . . . . 3.07 111.425 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.1 t -98.95 46.57 0.98 Allowed 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.176 0.512 . . . . 2.27 110.454 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -143.54 -48.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.848 -0.615 . . . . 0.79 110.553 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.692 ' HB1' ' HB3' ' B' ' 138' ' ' LEU . . . -61.9 -58.32 18.66 Favored Pre-proline 0 CA--C 1.535 0.373 0 CA-C-N 116.269 -0.423 . . . . 0.47 111.19 179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 34' ' ' ALA . 12.7 Cg_endo -55.63 -21.22 30.56 Favored 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 121.547 1.498 . . . . 0.44 112.638 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.593 HG12 HD22 ' B' ' 95' ' ' LEU . 21.5 t -64.31 -48.02 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 110.213 -0.292 . . . . 0.31 110.213 176.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.712 ' HB1' HG13 ' B' ' 134' ' ' VAL . . . -66.08 -39.93 90.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.331 -0.395 . . . . 0.24 110.712 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.73 -42.72 93.77 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.362 -0.381 . . . . 1.14 110.941 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.46 -42.28 92.48 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.236 -0.438 . . . . 0.24 110.638 179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.43 -36.53 82.7 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.202 -0.454 . . . . 0.18 110.986 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.528 ' HB2' ' HB ' ' B' ' 134' ' ' VAL . . . -67.3 -38.46 85.02 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.206 -0.452 . . . . 0.17 110.743 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -62.28 -48.91 77.8 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.315 -0.402 . . . . 1.26 110.901 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.22 -22.89 57.61 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 120.769 -0.373 . . . . 2.91 111.423 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD22 HD12 ' A' ' 100' ' ' LEU . 8.6 tp -61.38 -32.1 72.02 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 110.481 -0.192 . . . . 0.16 110.481 169.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.2 t -75.98 -7.24 54.15 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 111.923 0.342 . . . . 1.35 111.923 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.01 152.09 94.21 Favored Pre-proline 0 CA--C 1.534 0.351 0 C-N-CA 121.223 -0.191 . . . . 0.25 110.86 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -56.12 -33.49 90.31 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 121.818 1.679 . . . . 0.57 112.347 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.0 96.38 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.246 -0.433 . . . . 0.41 110.727 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.5 -44.35 82.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.073 -0.512 . . . . 0.29 110.679 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 87.4 p -59.54 -41.05 89.19 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.866 0.365 . . . . 1.2 111.127 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.2 t -63.13 -43.63 97.84 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.66 ' NE ' HG22 ' A' ' 82' ' ' VAL . 72.3 mtm-85 -64.16 -33.91 76.85 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 116.219 -0.446 . . . . 1.87 111.079 179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 49' ' ' ALA . 79.2 t -61.29 -45.93 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 N-CA-C 110.215 -0.291 . . . . 0.21 110.215 177.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -59.26 -44.53 92.42 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.28 -0.418 . . . . 1.19 110.69 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.5 m -61.97 -36.69 82.21 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.864 -0.607 . . . . 1.23 110.685 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.14 76.5 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.239 -0.437 . . . . 0.18 110.836 176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 61' ' ' VAL . 24.4 t -63.18 -54.06 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 116.412 -0.358 . . . . 0.15 110.17 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.6 t -59.86 -37.19 78.61 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.18 -0.463 . . . . 0.95 111.179 -177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.1 t -64.97 -52.58 55.46 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.406 -0.361 . . . . 1.23 110.93 -177.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.8 -40.19 88.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.459 -0.337 . . . . 0.21 111.002 -178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 57' ' ' VAL . 96.6 t -65.54 -48.17 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.19 -0.459 . . . . 0.22 110.976 -175.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.1 m -73.84 -43.14 59.61 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.616 -0.266 . . . . 1.31 111.241 -174.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.9 m -75.44 -38.12 59.91 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.549 -0.296 . . . . 0.24 110.992 -177.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.16 107.21 0.57 Allowed Glycine 0 CA--C 1.532 1.14 0 N-CA-C 110.659 -0.976 . . . . 0.18 110.659 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.438 ' CG ' HD13 ' B' ' 115' ' ' ILE . 84.8 Cg_exo -41.28 -32.26 1.14 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.587 2.191 . . . . 0.3 114.225 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.842 HG21 ' CA ' ' B' ' 111' ' ' GLY . 25.5 p -129.14 33.65 4.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.73 0.3 . . . . 0.51 111.482 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -92.4 136.3 33.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.413 -0.358 . . . . 0.56 110.641 178.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.51 -43.29 99.16 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 116.53 -0.304 . . . . 0.75 110.572 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.96 89.11 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.252 -0.431 . . . . 0.19 110.734 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.58 -42.91 86.26 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.268 -0.423 . . . . 0.21 110.863 -178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.4 mt -63.12 -41.18 99.29 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.424 -0.353 . . . . 0.25 110.854 -179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.8 p -62.27 -41.73 98.73 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.388 -0.369 . . . . 0.18 110.951 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.38 -44.39 94.86 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.224 -0.443 . . . . 0.98 111.272 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 78' ' ' VAL . 22.1 m -65.13 -46.1 82.34 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.272 -0.422 . . . . 0.29 110.868 -176.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 79' ' ' VAL . 76.5 mt -63.1 -46.37 96.25 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-N 116.702 -0.226 . . . . 1.01 110.673 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.2 m -61.23 -49.03 78.78 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.882 0.373 . . . . 1.25 110.927 -177.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.9 t -63.37 -46.86 84.54 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.94 -0.573 . . . . 1.39 111.123 -176.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 82' ' ' VAL . 61.6 t -63.67 -46.27 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 116.314 -0.403 . . . . 0.23 110.624 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 75' ' ' ILE . 98.4 t -59.47 -42.49 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.636 0.255 . . . . 0.16 110.511 -177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.0 m -60.48 -54.07 49.89 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.994 0.425 . . . . 1.08 111.106 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -66.69 -35.94 81.34 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.903 -0.589 . . . . 0.93 111.37 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 78' ' ' VAL . 57.7 t -62.94 -34.86 68.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 N-CA-C 110.367 -0.234 . . . . 0.22 110.367 177.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.471 ' OG ' HG11 ' A' ' 94' ' ' VAL . 4.1 m -64.56 -38.6 91.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.794 174.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.66 -41.63 97.8 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.163 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.61 -36.47 65.5 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.225 -0.443 . . . . 0.27 110.503 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.66 ' HB3' HD12 ' A' ' 89' ' ' LEU . 78.9 m-20 -112.55 70.99 1.15 Allowed Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 116.088 -0.505 . . . . 0.23 110.965 -174.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.31 -33.39 2.55 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 121.677 1.585 . . . . 0.19 111.947 169.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.08 -29.69 76.02 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.535 -0.626 . . . . 0.18 111.535 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.66 HD12 ' HB3' ' A' ' 86' ' ' ASN . 48.8 mt -79.89 153.1 29.24 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.696 0.284 . . . . 0.21 110.771 -177.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 m -67.91 164.03 20.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.123 -0.49 . . . . 0.19 110.777 -177.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.48 -39.15 94.55 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.357 -0.697 . . . . 0.14 111.357 -178.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.625 ' O ' HG23 ' A' ' 96' ' ' VAL . 11.8 t -65.92 -36.6 83.82 Favored 'General case' 0 CA--C 1.528 0.119 0 C-N-CA 121.095 -0.242 . . . . 0.11 110.638 179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -61.3 -37.31 82.75 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.602 -0.272 . . . . 0.15 110.83 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.471 HG11 ' OG ' ' A' ' 83' ' ' SER . 23.9 t -62.5 -45.81 97.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.315 -0.402 . . . . 0.15 110.304 177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD22 HG12 ' B' ' 36' ' ' VAL . 17.3 tp -61.95 -42.3 98.96 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.128 -0.487 . . . . 0.18 110.791 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 92' ' ' CYS . 61.0 t -58.17 -51.05 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 116.308 -0.406 . . . . 0.13 110.017 179.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.52 ' HA ' HD21 ' A' ' 100' ' ' LEU . 44.4 tp60 -60.43 -43.57 96.66 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.81 -0.632 . . . . 1.11 111.264 -172.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.772 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -63.13 -39.5 94.88 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.178 -0.465 . . . . 0.1 110.824 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.707 HD22 ' HB3' ' B' ' 100' ' ' LEU . 80.8 mt -67.68 -50.69 56.46 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.854 -0.339 . . . . 0.23 111.815 -172.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 HD22 ' A' ' 44' ' ' LEU . 1.3 pt? -72.2 -29.25 63.8 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 119.879 -0.728 . . . . 0.48 110.921 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -62.81 -34.38 77.17 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.689 -0.232 . . . . 1.1 110.804 174.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 98' ' ' ALA . 40.0 t -68.35 -37.02 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.189 0 N-CA-C 109.845 -0.428 . . . . 0.13 109.845 174.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' B' ' 103' ' ' VAL . 25.1 t -60.48 -43.92 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 116.247 -0.433 . . . . 0.09 110.001 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.774 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.5 p -65.24 -43.38 91.57 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.129 -0.487 . . . . 0.27 111.338 -176.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.25 -39.28 82.31 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.022 0.439 . . . . 0.15 110.361 178.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.574 ' HB2' HD13 ' B' ' 106' ' ' LEU . 35.9 mt -65.48 -34.86 79.27 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.819 -0.628 . . . . 0.11 111.253 178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 103' ' ' VAL . 90.5 t -60.33 -43.07 92.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 N-CA-C 110.089 -0.338 . . . . 0.12 110.089 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -60.2 -42.84 95.96 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.085 -0.507 . . . . 0.14 110.867 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 65.3 mt -64.37 -44.79 97.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.134 -0.484 . . . . 0.16 110.493 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.69 -45.79 92.5 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.528 -0.305 . . . . 0.16 111.426 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.85 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.83 -39.22 93.44 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.315 -0.714 . . . . 0.23 111.315 -177.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 88.7 p -75.66 -22.37 56.81 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 111.602 0.223 . . . . 0.28 111.602 178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.418 ' HB2' ' HA ' ' B' ' 115' ' ' ILE . 52.6 p -94.49 164.43 12.99 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.936 0.398 . . . . 0.14 111.124 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.3 m -95.93 119.78 35.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.769 -0.65 . . . . 0.09 110.227 177.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.432 HD13 ' CG ' ' B' ' 65' ' ' PRO . 45.7 mt -97.14 113.37 31.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.91 0.386 . . . . 0.13 110.348 -176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.98 -118.55 1.87 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.776 -0.93 . . . . 0.3 110.776 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.19 136.45 39.13 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.259 -0.274 . . . . 2.06 110.259 176.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.402 HG21 ' CG1' ' B' ' 57' ' ' VAL . 37.7 mm -92.99 123.77 45.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.461 -177.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -73.53 92.09 1.88 Allowed 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.702 -0.481 . . . . 0.67 109.702 174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -65.71 -40.31 92.09 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.832 -0.622 . . . . 1.26 111.272 -169.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.74 -36.59 92.48 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.493 -0.643 . . . . 0.21 111.493 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.13 -7.44 54.77 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.124 0.416 . . . . 0.18 112.124 -176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 86.9 p -57.7 -35.79 71.11 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.791 0.329 . . . . 0.17 110.921 -177.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.06 -35.36 80.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.179 -0.464 . . . . 0.19 110.888 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -65.07 -43.42 92.27 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.867 0.365 . . . . 1.12 110.486 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -63.57 -31.91 73.22 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.246 -0.434 . . . . 1.22 110.962 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.624 ' OG1' HG11 ' B' ' 53' ' ' VAL . 14.0 m -60.6 -40.64 92.53 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.357 -0.383 . . . . 0.21 110.399 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -62.84 -35.65 80.64 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.067 -0.515 . . . . 1.64 110.866 176.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 42.7 mtp -60.26 -48.28 82.41 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.68 0.276 . . . . 0.44 110.766 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.754 HG21 ' HA ' ' B' ' 104' ' ' SER . 66.2 t -64.49 -44.84 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.263 -0.426 . . . . 0.16 110.667 -177.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.456 ' HA2' HD23 ' B' ' 44' ' ' LEU . . . -56.69 -41.11 89.77 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 111.298 -0.721 . . . . 0.18 111.298 177.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -63.64 -42.56 98.13 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.586 0.231 . . . . 1.21 111.087 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.6 p -62.36 -38.23 88.77 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.424 -0.353 . . . . 0.24 111.148 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.736 HG13 ' HB1' ' B' ' 37' ' ' ALA . 96.5 t -65.42 -48.87 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.474 -0.33 . . . . 0.23 110.592 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 139' ' ' ALA . . . -60.57 -45.75 92.76 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.475 -0.329 . . . . 0.27 110.994 -176.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -68.81 -38.45 79.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 2.28 111.047 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.18 -43.18 95.91 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.346 -0.388 . . . . 0.36 111.39 -173.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.698 ' HB3' ' HB1' ' B' ' 34' ' ' ALA . 3.3 mm? -94.67 -8.4 37.98 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 111.911 0.337 . . . . 0.87 111.911 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.501 ' HB2' ' O ' ' A' ' 135' ' ' ALA . . . -73.42 -36.45 65.96 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.571 0.224 . . . . 1.16 110.529 177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.751 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.926 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.389 -0.597 . . . . 33.16 109.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.42 140.93 32.88 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 116.216 -0.447 . . . . 32.82 110.49 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -131.13 139.47 49.81 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.175 -0.466 . . . . 32.83 110.56 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -65.88 -36.28 82.97 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.224 -0.444 . . . . 34.46 110.787 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 82.6 p -123.91 160.63 27.08 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.256 -0.429 . . . . 31.75 110.601 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 68.0 -127.14 24.42 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.013 -0.835 . . . . 30.32 111.013 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.42 173.24 44.6 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.935 -0.866 . . . . 29.16 110.935 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -65.96 -37.17 85.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.628 0.251 . . . . 29.37 110.801 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -133.78 157.04 46.89 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.217 -0.447 . . . . 29.22 110.576 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 88.1 mtp -65.21 -35.56 81.44 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.227 -0.442 . . . . 27.3 110.876 179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 78.56 36.25 30.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.046 -0.821 . . . . 26.28 111.046 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -126.37 145.41 50.46 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.634 0.254 . . . . 27.96 110.423 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 80.82 35.71 24.21 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.087 -0.805 . . . . 25.39 111.087 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.2 t -145.97 -64.63 0.31 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.6 0.238 . . . . 25.26 110.608 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 65.0 mtt -65.68 -37.12 85.61 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.253 -0.43 . . . . 25.89 110.755 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.79 -177.19 38.97 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.904 -0.878 . . . . 24.22 110.904 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.04 -42.22 80.88 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.639 0.256 . . . . 23.68 110.668 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -114.83 140.58 48.82 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.174 -0.466 . . . . 22.43 110.505 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 21.1 m -66.64 -37.23 84.4 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.226 -0.443 . . . . 21.41 110.733 179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.75 153.94 28.19 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.172 -0.467 . . . . 20.15 110.585 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.1 154.68 17.06 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.21 -0.45 . . . . 19.42 110.531 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 21.1 t -100.27 136.28 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.184 -0.462 . . . . 18.26 110.032 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.8 p -64.24 -41.93 96.76 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.321 -0.4 . . . . 17.23 110.966 -177.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 29.3 m -133.1 154.19 39.04 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.147 0 CA-C-N 116.285 -0.416 . . . . 16.38 110.621 178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -100.86 33.61 6.28 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.059 -0.816 . . . . 14.42 111.059 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.82 175.85 48.6 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 110.863 -0.895 . . . . 12.9 110.863 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -123.82 29.85 6.38 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.669 0.271 . . . . 12.61 110.93 179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.17 65.98 2.55 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 110.877 -0.889 . . . . 8.77 110.877 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -56.32 141.34 88.94 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.922 1.748 . . . . 7.53 112.295 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.69 130.75 45.94 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.186 -0.461 . . . . 8.51 110.561 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -124.99 151.29 45.72 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.14 -0.482 . . . . 5.0 110.438 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 87.3 p -64.8 -34.42 78.32 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.265 -0.425 . . . . 3.86 110.866 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 26.8 t -154.74 146.95 23.78 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.289 -0.414 . . . . 1.67 110.648 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' ' 138' ' ' LEU . . . -174.93 -58.71 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 116.248 -0.433 . . . . 0.47 111.087 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.488 ' CD ' ' HB3' ' B' ' 34' ' ' ALA . 11.9 Cg_endo -55.51 -21.34 30.22 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 121.658 1.572 . . . . 0.44 112.555 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.61 HG12 HD22 ' A' ' 95' ' ' LEU . 21.5 t -64.23 -48.01 87.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 110.201 -0.296 . . . . 0.32 110.201 176.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.736 ' HB1' HG13 ' A' ' 134' ' ' VAL . . . -66.1 -40.01 90.43 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.364 -0.38 . . . . 0.24 110.677 178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.6 t -59.74 -42.61 93.54 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.306 -0.406 . . . . 1.14 110.994 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.61 -41.98 92.1 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.185 -0.462 . . . . 0.24 110.613 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.41 82.91 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.243 -0.435 . . . . 0.18 110.891 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.55 ' HB2' ' HB ' ' A' ' 134' ' ' VAL . . . -67.49 -38.39 84.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.146 -0.479 . . . . 0.17 110.677 177.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 36.1 m -62.38 -48.74 78.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.255 -0.429 . . . . 1.26 110.984 -177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -75.6 -22.21 57.11 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.823 -0.351 . . . . 2.91 111.412 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.758 HD22 HD12 ' B' ' 100' ' ' LEU . 9.1 tp -61.74 -32.42 72.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 110.2 -0.296 . . . . 0.16 110.2 169.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 24.0 t -75.75 -7.28 54.01 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 111.917 0.34 . . . . 1.35 111.917 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.03 152.2 94.06 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 121.153 -0.219 . . . . 0.25 110.883 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -56.09 -33.58 90.38 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 121.864 1.709 . . . . 0.58 112.304 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.1 96.65 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.286 -0.415 . . . . 0.41 110.709 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.39 -44.16 83.81 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.29 110.728 -179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.88 -40.93 90.34 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.393 -0.367 . . . . 1.2 111.068 -177.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -63.22 -43.52 97.87 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.105 -0.498 . . . . 1.37 110.775 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.675 ' NE ' HG22 ' B' ' 82' ' ' VAL . 72.5 mtm-85 -64.25 -33.89 76.84 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.225 -0.443 . . . . 1.87 111.001 179.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 49' ' ' ALA . 80.8 t -61.38 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 116.452 -0.34 . . . . 0.21 110.263 177.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.8 m -59.36 -44.48 92.68 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.256 -0.429 . . . . 1.19 110.695 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 22.8 m -61.97 -36.59 81.92 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.031 -0.531 . . . . 1.23 110.665 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.91 -34.15 76.83 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.181 -0.463 . . . . 0.18 110.705 177.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.601 ' O ' HG23 ' B' ' 61' ' ' VAL . 24.0 t -63.07 -53.98 39.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 116.379 -0.373 . . . . 0.15 110.258 178.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 15.4 t -59.91 -37.32 79.1 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.261 -0.427 . . . . 0.95 111.108 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -64.82 -52.68 55.47 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.41 -0.359 . . . . 1.23 110.984 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 84.3 mt -66.61 -40.38 88.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.426 -0.352 . . . . 0.21 110.955 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 57' ' ' VAL . 97.2 t -65.43 -48.28 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.149 -0.478 . . . . 0.22 110.984 -175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -73.51 -43.52 59.87 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.518 -0.31 . . . . 1.31 111.191 -174.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 48.3 m -75.23 -38.09 60.78 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.461 -0.336 . . . . 0.24 110.964 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.02 107.1 0.56 Allowed Glycine 0 CA--C 1.532 1.142 0 N-CA-C 110.688 -0.965 . . . . 0.18 110.688 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . 0.432 ' CG ' HD13 ' A' ' 115' ' ' ILE . 91.9 Cg_exo -41.18 -32.28 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.825 0 C-N-CA 122.463 2.109 . . . . 0.3 114.337 179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.85 HG21 ' CA ' ' A' ' 111' ' ' GLY . 25.5 p -129.12 33.92 4.5 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.731 0.3 . . . . 0.51 111.442 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -92.74 136.22 33.43 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.415 -0.357 . . . . 0.56 110.521 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -62.36 -43.43 98.83 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.447 -0.342 . . . . 0.75 110.597 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.09 -39.15 89.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.238 -0.437 . . . . 0.19 110.744 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.35 -42.97 87.31 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.219 -0.446 . . . . 0.21 110.849 -178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 42.0 mt -63.26 -40.96 98.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.335 -0.393 . . . . 0.25 110.78 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 84.1 p -62.74 -41.21 99.08 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 116.367 -0.378 . . . . 0.18 110.888 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.85 -44.38 93.33 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.191 -0.459 . . . . 0.98 111.044 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.675 ' O ' HG23 ' B' ' 78' ' ' VAL . 21.8 m -65.08 -46.17 82.25 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.363 -0.38 . . . . 0.29 110.869 -176.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.653 ' O ' HG23 ' B' ' 79' ' ' VAL . 76.6 mt -63.1 -46.35 96.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.642 -0.254 . . . . 1.01 110.636 -177.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 20.3 m -61.22 -49.06 78.66 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.81 0.338 . . . . 1.25 110.963 -177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 21.7 t -63.36 -47.02 83.86 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.009 -0.541 . . . . 1.39 111.118 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.726 ' O ' HG23 ' B' ' 82' ' ' VAL . 62.1 t -63.41 -46.54 95.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.367 -0.379 . . . . 0.23 110.613 -176.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.653 HG23 ' O ' ' B' ' 75' ' ' ILE . 93.1 t -59.22 -42.41 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 116.635 -0.257 . . . . 0.16 110.592 -177.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.7 m -60.68 -54.14 48.93 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.302 -0.408 . . . . 1.08 111.049 -179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.51 -35.88 81.34 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.006 -0.543 . . . . 0.93 111.441 -175.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.726 HG23 ' O ' ' B' ' 78' ' ' VAL . 57.7 t -62.99 -34.49 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 N-CA-C 110.365 -0.235 . . . . 0.22 110.365 177.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . 0.464 ' OG ' HG11 ' B' ' 94' ' ' VAL . 4.2 m -65.2 -38.18 89.65 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.365 -0.379 . . . . 1.19 110.636 174.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.09 -41.81 98.57 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.094 -0.503 . . . . 0.29 111.007 -178.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.26 -35.95 66.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.329 -0.396 . . . . 0.27 110.657 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.672 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.6 m-20 -113.17 70.71 1.36 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.079 -0.509 . . . . 0.23 110.894 -174.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -77.25 -33.43 2.57 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.688 1.592 . . . . 0.19 111.97 169.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -64.94 -29.99 76.82 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 111.568 -0.613 . . . . 0.18 111.568 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.672 HD12 ' HB3' ' B' ' 86' ' ' ASN . 49.0 mt -79.57 153.06 29.75 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.718 0.294 . . . . 0.21 110.877 -177.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.0 m -67.79 163.98 20.56 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.065 -0.516 . . . . 0.19 110.808 -177.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.33 -39.28 94.51 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.405 -0.678 . . . . 0.14 111.405 -178.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.624 ' O ' HG23 ' B' ' 96' ' ' VAL . 11.9 t -66.0 -36.47 83.37 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 121.1 -0.24 . . . . 0.11 110.604 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -61.43 -37.14 82.41 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.597 -0.274 . . . . 0.15 110.757 177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . 0.464 HG11 ' OG ' ' B' ' 83' ' ' SER . 24.2 t -62.65 -45.79 97.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.411 -0.359 . . . . 0.15 110.193 177.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.593 HD22 HG12 ' A' ' 36' ' ' VAL . 17.4 tp -62.02 -42.39 99.12 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.145 -0.48 . . . . 0.18 110.703 -179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 92' ' ' CYS . 61.3 t -58.03 -51.19 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 116.307 -0.406 . . . . 0.13 109.994 179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.502 ' HA ' HD21 ' B' ' 100' ' ' LEU . 44.2 tp60 -60.2 -43.53 95.86 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.869 -0.605 . . . . 1.11 111.312 -172.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.762 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -63.39 -39.34 94.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.218 -0.446 . . . . 0.1 110.752 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.688 HD22 ' HB3' ' A' ' 100' ' ' LEU . 81.9 mt -67.2 -51.81 48.98 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.386 -0.37 . . . . 0.23 111.687 -173.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.758 HD12 HD22 ' B' ' 44' ' ' LEU . 1.2 pt? -71.75 -28.88 63.95 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.983 -0.687 . . . . 0.48 111.05 -175.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -63.07 -34.12 76.9 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 120.612 0.244 . . . . 1.1 110.797 174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 98' ' ' ALA . 40.5 t -68.84 -36.64 75.13 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 N-CA-C 109.721 -0.474 . . . . 0.13 109.721 174.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.491 HG22 HG22 ' A' ' 103' ' ' VAL . 25.8 t -60.9 -43.86 96.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.825 -0.435 . . . . 0.09 109.825 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.754 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.5 p -65.2 -43.4 91.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.151 -0.477 . . . . 0.27 111.285 -176.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.3 -38.91 81.41 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.018 0.437 . . . . 0.15 110.42 178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.574 HD13 ' HB2' ' A' ' 106' ' ' LEU . 36.1 mt -65.99 -34.69 78.67 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.817 -0.629 . . . . 0.11 111.076 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 103' ' ' VAL . 93.2 t -60.44 -42.82 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 110.138 -0.319 . . . . 0.12 110.138 175.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 6.5 m -60.48 -42.62 96.64 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.098 -0.501 . . . . 0.14 110.808 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 66.0 mt -64.54 -44.71 96.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.213 -0.448 . . . . 0.16 110.466 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 83.2 mt -61.74 -45.82 92.3 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.391 -0.368 . . . . 0.16 111.422 -176.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.842 ' CA ' HG21 ' A' ' 66' ' ' THR . . . -66.59 -39.6 93.91 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.233 -0.747 . . . . 0.23 111.233 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.9 p -75.51 -22.61 57.0 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.515 0.191 . . . . 0.28 111.515 178.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.419 ' HB2' ' HA ' ' A' ' 115' ' ' ILE . 52.8 p -93.93 164.47 13.09 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.89 0.376 . . . . 0.14 111.147 -175.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 8.7 m -95.96 119.46 34.5 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.757 -0.656 . . . . 0.09 110.329 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . 0.438 HD13 ' CG ' ' A' ' 65' ' ' PRO . 46.0 mt -96.93 113.53 31.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.878 0.371 . . . . 0.13 110.344 -176.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -89.94 -118.51 1.85 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.741 -0.944 . . . . 0.3 110.741 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -99.26 136.47 39.16 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 110.281 -0.266 . . . . 2.06 110.281 176.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . . . . . . . . . 37.9 mm -93.03 123.82 45.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 CA-C-N 116.301 -0.409 . . . . 1.21 110.432 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -73.49 91.98 1.85 Allowed 'General case' 0 C--O 1.233 0.207 0 N-CA-C 109.66 -0.496 . . . . 0.67 109.66 174.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -65.53 -40.42 92.91 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.9 -0.591 . . . . 1.26 111.303 -169.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -65.73 -36.57 92.47 Favored Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.517 -0.633 . . . . 0.21 111.517 -176.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.11 -7.54 54.98 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 112.135 0.42 . . . . 0.18 112.135 -176.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 86.8 p -57.59 -35.59 70.6 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.648 0.261 . . . . 0.17 110.944 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.3 -35.52 81.26 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.19 110.784 178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -64.85 -43.15 93.97 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 1.12 110.619 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -64.14 -31.36 72.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.232 -0.44 . . . . 1.22 110.851 177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.627 ' OG1' HG11 ' A' ' 53' ' ' VAL . 14.4 m -61.07 -40.24 92.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.481 -0.327 . . . . 0.21 110.324 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -63.25 -35.51 80.58 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.065 -0.516 . . . . 1.64 110.71 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 42.3 mtp -60.39 -47.98 83.74 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.549 -0.296 . . . . 0.44 110.821 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.774 HG21 ' HA ' ' A' ' 104' ' ' SER . 65.8 t -64.77 -44.93 96.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 116.33 -0.396 . . . . 0.16 110.603 -177.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . 0.451 ' HA2' HD23 ' A' ' 44' ' ' LEU . . . -56.44 -41.22 87.87 Favored Glycine 0 CA--C 1.531 1.049 0 N-CA-C 111.385 -0.686 . . . . 0.18 111.385 177.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -63.65 -42.4 98.12 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.587 0.232 . . . . 1.21 111.002 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 80.5 p -62.59 -38.19 89.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.424 -0.353 . . . . 0.24 110.957 -177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.712 HG13 ' HB1' ' A' ' 37' ' ' ALA . 93.8 t -65.57 -48.91 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 CA-C-N 116.533 -0.303 . . . . 0.24 110.402 178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' B' ' 139' ' ' ALA . . . -60.63 -45.41 94.16 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.549 -0.296 . . . . 0.27 111.018 -175.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -69.24 -38.13 78.33 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.441 . . . . 2.28 111.006 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -64.22 -43.46 94.92 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.344 -0.389 . . . . 0.36 111.297 -173.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.692 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 3.3 mm? -94.3 -9.02 37.33 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.812 0.301 . . . . 0.87 111.812 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' B' ' 135' ' ' ALA . . . -72.98 -36.28 67.05 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 121.157 -0.217 . . . . 1.16 110.609 177.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 118.033 -1.426 . . . . 2.35 110.903 -179.947 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.2 mtm . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.306 -0.628 . . . . 36.65 109.306 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.88 -39.92 87.63 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.22 -0.446 . . . . 37.14 110.667 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.3 p -150.05 150.8 32.26 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.246 -0.434 . . . . 36.26 110.62 179.044 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.4 mtt -68.37 -39.43 81.77 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.271 -0.422 . . . . 36.12 110.67 179.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 m -67.89 -36.99 81.21 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.196 -0.456 . . . . 35.35 110.611 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.77 35.67 24.47 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.942 -0.863 . . . . 34.84 110.942 -178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.75 139.62 2.8 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.954 -0.858 . . . . 34.37 110.954 -179.798 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -114.35 154.4 28.11 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.648 0.261 . . . . 34.86 110.563 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -94.14 118.46 31.58 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.227 -0.442 . . . . 33.57 110.385 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.4 ttm -68.84 -42.79 76.67 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.154 -0.476 . . . . 32.05 110.813 -178.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -147.63 168.82 28.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.052 -0.819 . . . . 30.8 111.052 -178.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -146.27 160.59 41.8 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 120.613 0.244 . . . . 30.94 110.703 -178.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.41 178.67 47.68 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.955 -0.858 . . . . 29.08 110.955 179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -126.03 148.68 49.25 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-O 120.658 0.266 . . . . 27.99 110.51 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 48.2 ttp -89.46 123.75 33.87 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.179 -0.464 . . . . 27.87 110.351 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.94 -159.18 37.47 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.906 -0.878 . . . . 26.05 110.906 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.39 149.76 43.05 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.635 0.255 . . . . 24.72 110.568 179.684 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -111.48 33.01 4.96 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.236 -0.438 . . . . 23.32 110.818 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -128.83 94.0 3.74 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.345 -0.388 . . . . 22.02 110.613 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 57.02 26.27 11.71 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.181 -0.463 . . . . 21.23 111.622 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.49 101.44 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.627 -0.261 . . . . 19.47 111.187 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -117.94 131.32 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.263 -0.426 . . . . 17.85 110.099 179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 90.1 p -169.11 102.58 0.37 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.224 -0.444 . . . . 14.96 110.661 179.425 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.2 t -125.21 130.32 73.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.165 -0.471 . . . . 14.71 110.111 179.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 72.74 -175.93 43.6 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.924 -0.87 . . . . 11.62 110.924 179.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.87 39.59 38.5 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.02 -0.832 . . . . 9.69 111.02 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -102.65 26.96 7.35 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.569 0.224 . . . . 14.31 111.159 179.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 65.34 62.2 5.07 Favored Glycine 0 CA--C 1.532 1.106 0 N-CA-C 111.141 -0.784 . . . . 7.32 111.141 -179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.35 148.36 43.22 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.756 1.637 . . . . 5.74 112.027 -179.113 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 59.46 47.27 11.25 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.142 0.496 . . . . 8.09 111.036 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.6 t -138.88 143.13 38.61 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.945 -0.57 . . . . 3.07 110.532 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.0 t -137.65 43.36 2.28 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.188 0.518 . . . . 2.27 110.439 179.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.5 t -99.52 -33.14 10.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.79 110.832 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' B' ' 138' ' ' LEU . . . -62.35 -59.15 13.73 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.246 -0.434 . . . . 0.47 111.428 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.521 ' HD3' ' HB3' ' A' ' 34' ' ' ALA . 27.4 Cg_endo -61.69 -24.18 77.3 Favored 'Trans proline' 0 N--CA 1.499 1.832 0 C-N-CA 121.391 1.394 . . . . 0.44 112.519 -169.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -63.49 -50.28 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.31 110.247 178.474 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.774 ' HB3' HD22 ' B' ' 138' ' ' LEU . . . -65.77 -33.19 75.3 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.207 -0.452 . . . . 0.24 110.839 178.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.3 t -60.74 -44.88 96.11 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.813 0.339 . . . . 1.14 110.827 179.847 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.3 92.86 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.11 -0.496 . . . . 0.24 110.55 178.412 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.24 88.72 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.164 -0.471 . . . . 0.18 111.025 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.93 -37.83 85.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.19 -0.459 . . . . 0.17 110.665 178.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.8 t -62.34 -49.06 77.09 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.341 -0.39 . . . . 1.26 110.969 -177.498 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.31 -23.46 57.34 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 120.699 -0.401 . . . . 2.91 111.465 178.542 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD22 ' CD1' ' A' ' 100' ' ' LEU . 7.6 tp -63.31 -32.14 73.48 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.458 -0.201 . . . . 0.16 110.458 172.419 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.0 p -79.75 -2.73 44.42 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.922 0.342 . . . . 1.35 111.922 178.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 59.8 p -66.37 152.13 94.94 Favored Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 121.301 -0.16 . . . . 0.25 110.82 179.441 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -55.04 -34.1 85.86 Favored 'Trans proline' 0 N--CA 1.501 1.928 0 C-N-CA 121.779 1.653 . . . . 0.57 112.464 -179.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.52 99.02 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.311 -0.404 . . . . 0.41 110.809 -179.701 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . . . -66.3 -43.61 85.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.117 -0.492 . . . . 0.29 110.75 -178.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 88.1 p -59.3 -41.57 89.32 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.858 0.361 . . . . 1.2 111.05 -177.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 87.6 p -63.65 -40.6 97.26 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.052 -0.522 . . . . 1.37 110.736 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.683 ' NE ' HG22 ' A' ' 82' ' ' VAL . 75.1 mtm-85 -65.26 -33.83 76.92 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.263 -0.426 . . . . 1.87 111.032 178.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' ALA . 60.3 t -61.31 -45.18 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 110.01 -0.367 . . . . 0.21 110.01 176.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -58.87 -46.01 88.8 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.052 0.453 . . . . 1.19 110.61 179.215 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.73 -36.8 84.17 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.858 -0.61 . . . . 1.23 110.628 178.417 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.86 -33.2 74.77 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.17 -0.468 . . . . 0.18 110.808 177.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 61' ' ' VAL . 34.7 t -63.04 -52.5 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 110.063 -0.347 . . . . 0.15 110.063 177.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.44 -37.96 79.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.193 -177.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.5 t -65.41 -52.41 53.58 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.343 -0.389 . . . . 1.23 110.966 -177.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.3 mt -65.75 -39.9 91.54 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.396 -0.365 . . . . 0.21 111.108 -177.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 57' ' ' VAL . 92.2 t -65.86 -49.4 77.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.29 -0.414 . . . . 0.22 110.934 -175.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -73.11 -43.13 62.13 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.528 -0.306 . . . . 1.31 111.133 -174.252 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 63.5 m -74.63 -38.13 62.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.501 -0.318 . . . . 0.24 110.948 -177.544 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.86 109.82 0.77 Allowed Glycine 0 CA--C 1.532 1.104 0 N-CA-C 110.69 -0.964 . . . . 0.18 110.69 -177.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -40.84 -31.97 0.8 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.576 2.184 . . . . 0.3 114.26 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.721 HG21 ' N ' ' B' ' 111' ' ' GLY . 2.1 p -133.75 35.82 3.34 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.847 0.356 . . . . 0.51 111.429 -176.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.568 ' OD1' ' HB3' ' A' ' 69' ' ' ALA . 11.7 t-20 -93.35 137.29 32.81 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.284 -0.416 . . . . 0.56 110.443 176.587 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -62.11 -40.07 94.64 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.73 0.3 . . . . 0.75 110.53 178.125 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.568 ' HB3' ' OD1' ' A' ' 67' ' ' ASN . . . -66.48 -39.21 88.64 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.174 -0.467 . . . . 0.19 110.448 179.315 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.49 -40.53 93.17 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.12 -0.491 . . . . 0.21 110.722 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.403 HD11 ' HE1' ' A' ' 129' ' ' MET . 45.2 mt -62.94 -43.56 98.46 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.414 -0.357 . . . . 0.25 110.68 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 83.3 p -60.74 -40.64 93.19 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.38 -0.373 . . . . 0.18 110.851 -179.448 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.59 -44.45 93.97 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.222 -0.445 . . . . 0.98 111.214 -179.586 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.629 ' O ' HG23 ' A' ' 78' ' ' VAL . 18.9 m -65.93 -47.65 73.98 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.267 -0.424 . . . . 0.29 110.974 -176.013 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.616 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.2 mm -62.04 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.721 -0.218 . . . . 1.01 110.776 -177.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -60.86 -52.08 66.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.895 0.378 . . . . 1.25 110.924 -176.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.74 -46.99 82.87 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.926 -0.579 . . . . 1.39 111.179 -175.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.748 ' O ' HG23 ' A' ' 82' ' ' VAL . 60.8 t -63.62 -48.46 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.398 -0.365 . . . . 0.23 110.551 -175.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.1 t -58.83 -42.08 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.645 -0.252 . . . . 0.16 110.545 -177.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -60.54 -53.99 50.8 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.319 -0.401 . . . . 1.08 111.192 -178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -69.87 -35.24 74.52 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.073 -0.512 . . . . 0.93 111.407 -173.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 78' ' ' VAL . 61.8 t -63.24 -37.04 78.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 110.381 -0.229 . . . . 0.22 110.381 178.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.0 t -64.94 -37.51 87.89 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 1.19 110.864 174.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.33 96.8 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.13 -0.486 . . . . 0.29 111.181 -178.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -73.18 -36.32 66.54 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.306 -0.407 . . . . 0.27 110.388 178.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.575 ' HB3' HD12 ' A' ' 89' ' ' LEU . 79.2 m-20 -112.28 70.84 1.06 Allowed Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.113 -0.494 . . . . 0.23 111.058 -175.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -77.0 -32.87 3.01 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 121.618 1.546 . . . . 0.19 112.033 169.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.11 -29.92 76.58 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.491 -0.643 . . . . 0.18 111.491 179.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.575 HD12 ' HB3' ' A' ' 86' ' ' ASN . 79.8 mt -79.8 152.56 29.69 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.21 110.72 -177.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -67.89 164.01 20.71 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.102 -0.499 . . . . 0.19 110.726 -177.636 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.31 -38.5 93.41 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.461 -0.656 . . . . 0.14 111.461 -178.187 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 96' ' ' VAL . 10.5 t -65.66 -37.59 86.95 Favored 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.097 -0.241 . . . . 0.11 110.669 179.877 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -61.67 -38.35 87.45 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.501 -0.318 . . . . 0.15 110.845 178.484 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 25.9 t -62.82 -43.76 99.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.36 -0.382 . . . . 0.15 110.375 178.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' HB2' ' B' ' 37' ' ' ALA . 14.8 tp -62.98 -41.05 99.45 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.228 -0.442 . . . . 0.18 110.944 -179.574 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 92' ' ' CYS . 59.4 t -60.13 -45.52 95.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.893 0.377 . . . . 0.13 110.136 178.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.625 ' HB3' HG11 ' A' ' 82' ' ' VAL . 38.8 tp60 -63.78 -43.0 97.66 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 1.11 111.252 -174.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' O ' HG23 ' A' ' 102' ' ' VAL . . . -65.43 -43.07 91.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.261 -0.427 . . . . 0.1 110.963 -179.056 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.514 HD22 ' CB ' ' B' ' 100' ' ' LEU . 87.6 mt -66.87 -50.52 62.25 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 121.002 -0.279 . . . . 0.23 111.685 -172.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 97' ' ' GLN . 1.3 pt? -70.89 -30.17 66.45 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.178 -0.609 . . . . 0.48 110.55 -175.964 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.23 -32.56 74.19 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.653 0.263 . . . . 1.1 110.778 175.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 98' ' ' ALA . 36.0 t -67.01 -36.31 76.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 110.002 -0.37 . . . . 0.13 110.002 173.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 107' ' ' VAL . 25.6 t -61.09 -43.06 95.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 116.216 -0.447 . . . . 0.09 110.114 178.122 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.659 ' HA ' HG21 ' B' ' 130' ' ' VAL . 1.7 p -65.45 -40.11 92.85 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.224 -0.443 . . . . 0.27 111.367 -178.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.52 98.61 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.99 0.424 . . . . 0.15 110.494 178.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HB2' HD13 ' B' ' 106' ' ' LEU . 39.3 mt -65.64 -34.98 79.48 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.934 -0.575 . . . . 0.11 111.161 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 103' ' ' VAL . 95.1 t -60.55 -41.89 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.724 0.297 . . . . 0.12 110.248 176.214 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -60.78 -43.4 98.14 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.208 -0.451 . . . . 0.14 110.898 179.397 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 66.8 mt -64.32 -44.2 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.075 -0.511 . . . . 0.16 110.563 -179.027 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.3 mt -62.62 -46.1 89.81 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.471 -0.331 . . . . 0.16 111.323 -176.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.733 ' CA ' HG21 ' B' ' 66' ' ' THR . . . -66.96 -39.2 93.22 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.364 -0.694 . . . . 0.23 111.364 -176.063 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 89.5 p -76.89 -23.36 52.57 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.44 0.163 . . . . 0.28 111.44 177.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 89.6 p -94.53 166.29 12.11 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.822 0.344 . . . . 0.14 110.739 -177.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 45.5 m -96.61 136.34 37.27 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.845 -0.616 . . . . 0.09 110.439 -177.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 2.8 mp -97.11 120.03 45.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.363 -0.38 . . . . 0.13 110.557 -178.39 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.71 -120.64 4.62 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.723 -0.951 . . . . 0.3 110.723 178.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -101.23 131.17 47.36 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 110.081 -0.34 . . . . 2.06 110.081 176.491 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.518 HD12 ' H ' ' A' ' 118' ' ' ILE . 4.8 mp -92.84 122.96 44.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 116.345 -0.388 . . . . 1.21 110.349 -178.007 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -76.27 94.75 3.61 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.129 -0.487 . . . . 0.67 109.957 176.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -66.54 -40.07 88.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.887 -0.597 . . . . 1.26 111.248 -171.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.52 -32.93 85.85 Favored Glycine 0 CA--C 1.528 0.895 0 N-CA-C 111.77 -0.532 . . . . 0.21 111.77 -176.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.77 1.31 30.94 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 112.402 0.519 . . . . 0.18 112.402 -176.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -57.18 -37.03 71.53 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.801 0.334 . . . . 0.17 110.947 -178.399 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.2 -36.78 85.25 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.479 . . . . 0.19 110.965 179.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.73 -43.99 91.59 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.251 -0.431 . . . . 1.12 110.578 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -63.52 -31.91 73.21 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.256 -0.429 . . . . 1.22 110.985 177.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.56 ' OG1' HG11 ' B' ' 53' ' ' VAL . 7.0 m -60.14 -40.47 89.95 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.908 0.385 . . . . 0.21 110.448 174.065 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -63.71 -34.43 77.85 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.913 -0.585 . . . . 1.64 110.95 176.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.403 ' HE1' HD11 ' A' ' 71' ' ' LEU . 84.4 mtp -61.12 -49.46 77.17 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.652 0.263 . . . . 0.44 110.862 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.654 HG21 ' HA ' ' B' ' 104' ' ' SER . 59.8 t -65.72 -48.42 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 116.348 -0.387 . . . . 0.16 110.66 -177.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -57.02 -38.23 84.2 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.196 -0.762 . . . . 0.18 111.196 178.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.81 -42.33 95.08 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.497 0.189 . . . . 1.21 111.069 179.53 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.7 p -61.62 -38.6 88.25 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.24 111.003 -178.3 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.754 ' CG1' ' HB1' ' B' ' 37' ' ' ALA . 78.0 t -64.86 -48.16 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.319 -0.4 . . . . 0.23 110.526 178.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.78 -43.32 99.11 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.407 -0.36 . . . . 0.27 111.352 -175.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -67.93 -47.63 68.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 2.28 111.327 -176.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.21 -43.05 83.06 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.424 -0.353 . . . . 0.36 111.322 -175.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.805 ' O ' ' HB1' ' B' ' 34' ' ' ALA . 10.4 mp -98.24 -7.89 28.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.176 0.435 . . . . 0.87 112.176 -174.64 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.08 39.08 0.3 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.974 0.416 . . . . 1.16 110.666 -179.292 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.803 0 CA-C-O 117.994 -1.448 . . . . 2.62 110.822 179.599 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.5 mmm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.384 -0.599 . . . . 33.16 109.384 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.64 138.99 53.5 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.243 -0.435 . . . . 32.82 110.594 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 98.4 p -67.36 -35.99 80.48 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.227 -0.442 . . . . 32.83 110.827 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.34 144.47 48.28 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.291 -0.413 . . . . 34.46 110.557 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m -132.15 144.78 50.93 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.165 -0.47 . . . . 31.75 110.511 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.1 -135.78 23.14 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.009 -0.837 . . . . 30.32 111.009 179.402 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.05 57.05 2.32 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.959 -0.856 . . . . 29.16 110.959 -179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -64.13 -34.85 79.0 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.632 0.253 . . . . 29.37 110.968 -179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 61.3 46.16 8.07 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.05 0.452 . . . . 29.22 110.882 179.599 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.08 -37.42 87.39 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.059 -0.518 . . . . 27.3 110.859 -179.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . 79.43 -162.61 47.79 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.956 -0.858 . . . . 26.28 110.956 179.503 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -150.67 163.79 37.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.628 0.251 . . . . 27.96 110.679 179.688 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.37 171.56 51.72 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.958 -0.857 . . . . 25.39 110.958 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 25.9 m -66.43 -36.33 82.53 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.612 0.244 . . . . 25.26 110.801 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 88.0 mtp 59.98 167.08 0.07 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.333 -0.394 . . . . 25.89 111.111 -179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.33 113.16 3.99 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.905 -0.878 . . . . 24.22 110.905 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.82 81.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.604 0.24 . . . . 23.68 110.659 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -110.85 32.24 5.4 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.241 -0.436 . . . . 22.43 110.793 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -65.02 -36.45 84.44 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.403 -0.362 . . . . 21.41 110.834 -179.423 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.75 102.87 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.286 -0.415 . . . . 20.15 111.089 179.841 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.36 -62.68 0.74 Allowed 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.21 -0.45 . . . . 19.42 110.526 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 t -67.8 -39.08 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 18.26 110.156 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 87.4 p -144.02 164.78 29.65 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.2 -0.455 . . . . 17.23 110.517 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -103.83 131.64 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.271 -0.422 . . . . 16.38 110.12 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.43 -174.64 47.4 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.973 -0.851 . . . . 14.42 110.973 -179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.63 -71.25 1.27 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.891 -0.883 . . . . 12.9 110.891 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -115.16 136.8 52.73 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 120.642 0.258 . . . . 12.61 110.478 179.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.28 81.32 0.34 Allowed Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.972 -0.851 . . . . 8.77 110.972 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.0 140.38 65.72 Favored 'Trans proline' 0 N--CA 1.497 1.684 0 C-N-CA 121.774 1.649 . . . . 7.53 111.95 -179.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -137.42 163.76 30.29 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 116.15 -0.477 . . . . 8.51 110.603 -179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.3 t -69.51 153.48 43.44 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.252 -0.431 . . . . 5.0 110.462 179.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 50.2 m -68.24 136.48 53.61 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.213 -0.448 . . . . 3.86 110.725 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 95.2 p -170.68 -45.47 0.02 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.11 -0.495 . . . . 1.67 110.729 179.029 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.805 ' HB1' ' O ' ' A' ' 138' ' ' LEU . . . -73.82 -60.15 1.65 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 116.3 -0.409 . . . . 0.47 111.229 -177.194 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' B' ' 34' ' ' ALA . 26.3 Cg_endo -61.06 -24.4 79.36 Favored 'Trans proline' 0 N--CA 1.499 1.797 0 C-N-CA 121.542 1.495 . . . . 0.44 112.524 -169.769 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 25.8 t -63.47 -50.21 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.699 0.285 . . . . 0.32 110.232 178.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ALA . . . . . 0.754 ' HB1' ' CG1' ' A' ' 134' ' ' VAL . . . -65.88 -33.07 75.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.166 -0.47 . . . . 0.24 110.87 178.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 22.4 t -60.76 -44.89 96.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.541 -0.299 . . . . 1.14 110.79 179.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.96 91.99 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.154 -0.475 . . . . 0.24 110.55 178.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.68 -38.16 89.26 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.18 110.826 179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.07 -37.87 84.78 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.198 -0.456 . . . . 0.17 110.669 178.376 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 27.1 t -62.31 -48.93 77.67 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.188 -0.46 . . . . 1.26 111.027 -177.545 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -75.61 -22.92 56.45 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 120.841 -0.344 . . . . 2.91 111.557 178.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.499 HD22 ' CD1' ' B' ' 100' ' ' LEU . 8.1 tp -63.49 -32.47 73.93 Favored 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 110.321 -0.251 . . . . 0.16 110.321 172.302 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 57.2 p -79.62 -2.68 43.71 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 111.894 0.331 . . . . 1.35 111.894 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 59.7 p -66.44 152.44 94.67 Favored Pre-proline 0 CA--C 1.533 0.308 0 C-N-CA 121.212 -0.195 . . . . 0.25 110.8 179.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -55.27 -34.02 86.89 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.814 1.676 . . . . 0.58 112.429 -179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.45 98.62 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.281 -0.418 . . . . 0.41 110.707 -179.569 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.609 ' O ' HG23 ' B' ' 53' ' ' VAL . . . -66.29 -43.44 86.31 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.146 -0.479 . . . . 0.29 110.789 -178.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' SER . . . . . . . . . . . . . 88.0 p -59.6 -41.33 90.08 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.403 -0.362 . . . . 1.2 110.99 -177.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 89.4 p -63.77 -40.53 96.92 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.21 -0.45 . . . . 1.37 110.682 179.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . 0.671 ' NE ' HG22 ' B' ' 82' ' ' VAL . 75.6 mtm-85 -65.4 -33.63 76.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.193 -0.458 . . . . 1.87 111.027 178.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.618 ' O ' HG23 ' B' ' 57' ' ' VAL . 58.9 t -61.57 -44.85 99.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 110.079 -0.341 . . . . 0.21 110.079 176.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -59.15 -45.97 89.6 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.222 -0.444 . . . . 1.19 110.617 179.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t -62.75 -36.62 83.63 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.88 -0.6 . . . . 1.23 110.607 178.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.02 -33.17 74.86 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.175 -0.466 . . . . 0.18 110.758 177.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.634 ' O ' HG23 ' B' ' 61' ' ' VAL . 33.3 t -62.97 -52.45 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 116.424 -0.353 . . . . 0.15 110.094 177.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.9 p -59.48 -38.02 79.75 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.95 111.25 -177.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 41.9 t -65.42 -52.31 54.17 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.297 -0.41 . . . . 1.23 110.954 -177.205 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.86 -39.86 91.11 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.453 -0.34 . . . . 0.21 111.081 -177.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 57' ' ' VAL . 92.0 t -65.75 -49.59 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.276 -0.42 . . . . 0.22 110.982 -175.703 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' SER . . . . . . . . . . . . . 22.2 m -72.74 -43.37 63.02 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.428 -0.351 . . . . 1.31 111.187 -174.343 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' SER . . . . . . . . . . . . . 63.8 m -74.53 -38.12 62.85 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.419 -0.355 . . . . 0.24 110.889 -177.424 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.73 109.74 0.77 Allowed Glycine 0 CA--C 1.533 1.192 0 N-CA-C 110.72 -0.952 . . . . 0.18 110.72 -177.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.69 -32.02 0.76 Allowed 'Trans proline' 0 N--CA 1.499 1.831 0 C-N-CA 122.59 2.193 . . . . 0.3 114.207 178.091 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.733 HG21 ' CA ' ' A' ' 111' ' ' GLY . 2.2 p -133.84 36.09 3.31 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.82 0.343 . . . . 0.51 111.323 -176.701 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . 0.575 ' OD1' ' HB3' ' B' ' 69' ' ' ALA . 11.7 t-20 -93.68 137.12 33.26 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.345 -0.388 . . . . 0.56 110.415 176.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' GLN . . . . . . . . . . . . . 59.1 tp60 -61.93 -40.22 94.74 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.78 0.324 . . . . 0.75 110.574 178.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.575 ' HB3' ' OD1' ' B' ' 67' ' ' ASN . . . -66.33 -39.28 89.14 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.459 . . . . 0.19 110.547 179.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.56 93.65 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.073 -0.512 . . . . 0.21 110.67 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.384 -0.371 . . . . 0.25 110.774 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . . . . . . . . . 83.4 p -60.95 -40.41 93.21 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.391 -0.368 . . . . 0.18 110.831 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -63.87 -44.49 92.92 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.201 -0.454 . . . . 0.98 111.089 -179.435 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' THR . . . . . 0.638 ' O ' HG23 ' B' ' 78' ' ' VAL . 18.8 m -65.84 -47.7 74.11 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.284 -0.417 . . . . 0.29 110.979 -175.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.62 ' O ' HG23 ' B' ' 79' ' ' VAL . 49.2 mm -62.02 -45.94 97.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.6 -0.273 . . . . 1.01 110.79 -177.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 18.5 t -60.83 -52.04 66.74 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.498 -0.319 . . . . 1.25 110.958 -177.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -63.8 -47.1 82.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.073 -0.512 . . . . 1.39 111.155 -175.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.733 ' O ' HG23 ' B' ' 82' ' ' VAL . 59.5 t -63.36 -48.6 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 116.384 -0.371 . . . . 0.23 110.617 -175.857 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 75' ' ' ILE . 99.4 t -58.66 -42.06 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.639 -0.255 . . . . 0.16 110.579 -177.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -60.68 -54.05 50.03 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.316 -0.402 . . . . 1.08 111.176 -178.511 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -69.8 -35.17 74.62 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.279 -0.419 . . . . 0.93 111.481 -173.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' VAL . . . . . 0.733 HG23 ' O ' ' B' ' 78' ' ' VAL . 61.7 t -63.24 -36.75 77.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 110.33 -0.248 . . . . 0.22 110.33 178.517 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' SER . . . . . . . . . . . . . 21.2 t -65.54 -37.06 85.65 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.227 -0.442 . . . . 1.19 110.654 174.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.57 97.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.168 -0.469 . . . . 0.29 111.079 -178.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -72.82 -35.75 67.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.357 -0.383 . . . . 0.27 110.522 178.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.61 ' HB3' HD12 ' B' ' 89' ' ' LEU . 77.7 m-20 -112.94 70.52 1.22 Allowed Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.195 -0.457 . . . . 0.23 110.855 -174.83 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -76.96 -32.97 2.99 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.663 1.575 . . . . 0.19 111.935 169.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' GLY . . . . . . . . . . . . . . . -65.06 -30.24 77.44 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.508 -0.637 . . . . 0.18 111.508 179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' B' ' 86' ' ' ASN . 80.6 mt -79.42 152.48 30.3 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.21 110.843 -177.402 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' SER . . . . . . . . . . . . . 50.2 m -67.83 163.99 20.62 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.19 110.711 -177.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' GLY . . . . . . . . . . . . . . . -59.22 -38.61 93.46 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.443 -0.663 . . . . 0.14 111.443 -178.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' CYS . . . . . 0.596 ' O ' HG23 ' B' ' 96' ' ' VAL . 10.5 t -65.62 -37.64 87.17 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 121.057 -0.257 . . . . 0.11 110.668 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -61.69 -38.15 86.77 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.477 -0.329 . . . . 0.15 110.81 178.551 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' VAL . . . . . . . . . . . . . 26.4 t -63.11 -43.35 98.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.428 -0.351 . . . . 0.15 110.368 178.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.676 ' CD1' ' HB2' ' A' ' 37' ' ' ALA . 14.9 tp -63.33 -41.02 98.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.25 -0.432 . . . . 0.18 110.798 -179.428 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' VAL . . . . . 0.596 HG23 ' O ' ' B' ' 92' ' ' CYS . 58.8 t -60.17 -45.32 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-O 120.903 0.382 . . . . 0.13 110.197 178.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . 0.621 ' HB3' HG11 ' B' ' 82' ' ' VAL . 38.9 tp60 -63.92 -42.9 97.27 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 1.11 111.188 -174.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' ALA . . . . . 0.825 ' O ' HG23 ' B' ' 102' ' ' VAL . . . -65.6 -42.96 91.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.207 -0.451 . . . . 0.1 110.987 -178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . 0.512 HD22 ' CB ' ' A' ' 100' ' ' LEU . 88.0 mt -66.38 -52.06 50.69 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.434 -0.348 . . . . 0.23 111.525 -173.011 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' LEU . . . . . 0.544 HD23 ' O ' ' B' ' 97' ' ' GLN . 1.3 pt? -69.52 -30.22 68.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 120.453 -0.499 . . . . 0.48 111.012 -176.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.52 -32.34 73.94 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.692 0.282 . . . . 1.1 110.696 175.35 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.825 HG23 ' O ' ' B' ' 98' ' ' ALA . 38.1 t -67.39 -35.94 75.07 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.247 0 N-CA-C 109.853 -0.425 . . . . 0.13 109.853 173.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . 0.534 ' O ' HG23 ' B' ' 107' ' ' VAL . 26.5 t -61.65 -42.73 95.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.261 -0.427 . . . . 0.09 109.979 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' SER . . . . . 0.654 ' HA ' HG21 ' A' ' 130' ' ' VAL . 1.6 p -65.73 -40.0 91.72 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.215 -0.448 . . . . 0.27 111.226 -178.451 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.09 -42.27 98.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.868 0.366 . . . . 0.15 110.525 178.371 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 106' ' ' LEU . 39.0 mt -65.95 -35.0 79.39 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.031 -0.531 . . . . 0.11 110.982 179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' VAL . . . . . 0.534 HG23 ' O ' ' B' ' 103' ' ' VAL . 95.1 t -60.64 -41.7 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 110.142 -0.318 . . . . 0.12 110.142 176.343 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 5.8 m -61.02 -43.12 99.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.271 -0.422 . . . . 0.14 110.847 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 68.0 mt -64.7 -43.97 96.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 CA-C-N 116.122 -0.49 . . . . 0.16 110.415 -178.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 60.6 mt -62.75 -46.04 89.9 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.435 -0.348 . . . . 0.16 111.309 -176.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' GLY . . . . . 0.721 ' N ' HG21 ' A' ' 66' ' ' THR . . . -66.69 -39.83 93.8 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.235 -0.746 . . . . 0.23 111.235 -176.2 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' SER . . . . . . . . . . . . . 88.8 p -76.61 -23.68 53.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 121.256 -0.178 . . . . 0.28 111.389 178.072 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 89.8 p -93.7 166.7 12.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.823 0.344 . . . . 0.14 110.862 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 46.8 m -96.94 136.44 37.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.957 -0.565 . . . . 0.09 110.368 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 2.9 mp -97.28 120.17 46.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.393 -0.367 . . . . 0.13 110.444 -178.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' GLY . . . . . . . . . . . . . . . -100.82 -120.58 4.63 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.702 -0.959 . . . . 0.3 110.702 178.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -101.22 131.1 47.38 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 110.158 -0.312 . . . . 2.06 110.158 176.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' ILE . . . . . 0.511 ' H ' HD12 ' B' ' 118' ' ' ILE . 4.8 mp -92.74 123.05 44.71 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-N 116.383 -0.372 . . . . 1.21 110.341 -178.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -76.46 94.88 3.74 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.138 -0.483 . . . . 0.67 109.864 176.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -66.54 -40.15 88.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.835 -0.62 . . . . 1.26 111.275 -171.516 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' GLY . . . . . . . . . . . . . . . -64.48 -32.88 85.68 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.721 -0.552 . . . . 0.21 111.721 -176.382 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.87 1.12 32.16 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.367 0.506 . . . . 0.18 112.367 -176.018 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -57.02 -36.87 70.94 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.706 0.288 . . . . 0.17 110.983 -178.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.49 -36.8 84.92 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.178 -0.464 . . . . 0.19 110.841 179.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -64.56 -43.78 92.84 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.386 -0.37 . . . . 1.12 110.633 -178.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -64.07 -31.53 72.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.319 -0.401 . . . . 1.22 110.842 177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . 0.553 ' OG1' HG11 ' A' ' 53' ' ' VAL . 7.0 m -60.46 -40.15 90.18 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.413 -0.358 . . . . 0.21 110.376 174.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -64.05 -34.32 77.75 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 116.032 -0.531 . . . . 1.64 110.847 176.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' MET . . . . . . . . . . . . . 84.5 mtp -61.17 -49.35 77.58 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.663 -0.244 . . . . 0.44 110.919 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' VAL . . . . . 0.659 HG21 ' HA ' ' A' ' 104' ' ' SER . 59.9 t -65.82 -48.59 81.62 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-N 116.425 -0.352 . . . . 0.16 110.608 -177.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.79 -38.3 82.53 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.291 -0.724 . . . . 0.18 111.291 178.294 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 132' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -64.71 -42.23 95.41 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.512 0.196 . . . . 1.21 111.076 179.528 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 133' ' ' SER . . . . . . . . . . . . . 60.3 p -61.89 -38.48 88.52 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.43 -0.35 . . . . 0.24 110.862 -178.065 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.741 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 78.7 t -64.97 -48.04 85.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.341 -0.39 . . . . 0.24 110.459 178.533 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 135' ' ' ALA . . . . . . . . . . . . . . . -62.91 -43.24 99.34 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.445 -0.343 . . . . 0.27 111.231 -175.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 136' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -68.09 -47.45 68.19 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.326 -0.397 . . . . 2.28 111.323 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.12 82.15 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.431 -0.35 . . . . 0.36 111.209 -175.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . 0.805 ' O ' ' HB1' ' A' ' 34' ' ' ALA . 10.4 mp -98.28 -7.89 28.24 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.153 0.427 . . . . 0.87 112.153 -174.534 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 139' ' ' ALA . . . . . . . . . . . . . . . -157.03 38.84 0.31 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.933 0.396 . . . . 1.16 110.59 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 140' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.775 0 CA-C-O 118.104 -1.386 . . . . 2.35 110.956 -179.89 . . . . . . . . 0 0 . 1 stop_ save_